SCHEMBL45848

SCHEMBL45848

CCc1ccc(CC)nn1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
PARP1 P09874 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SLC5A2 P31639 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7072554 0.86
SCHEMBL19009140 0.86 CYP19A1 (0.36) NOS3NOS2CYP1A2POLBALDH1A1
SCHEMBL20207547 0.86
SCHEMBL26454386 0.86 CCR1 (0.42)
SCHEMBL2633173 0.84
SCHEMBL11996541 0.84
SCHEMBL12356544 0.84 KCNH2 (0.45) TP53ALDH1A1
SCHEMBL2600117 0.84
SCHEMBL459814 0.84
SCHEMBL13748555 0.84

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11673902-B2 Isoindolinone and indazole compounds for the degradation of EGFR C4 THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
US-20230152257-A1 METHODS AND COMPOSITIONS FOR SCREENING AND IDENTIFICATION OF SPLICING SKYHAWK THERAPEUTICS, INC. 2023-05-18 US disclosed
US-11091475-B2 Methods and compositions for modulating splicing SKYHAWK THERAPEUTICS, INC. (US) 2021-08-17 US disclosed
US-20210171519-A1 METHODS AND COMPOSITIONS FOR MODULATING SPLICING SKYHAWK THERAPEUTICS, INC. 2021-06-10 US disclosed
US-10246464-B2 Thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-04-02 US disclosed
WO-2018098204-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
US-20170326258-A1 CONTRAST AGENTS BASED ON LONG-LIVED NUCLEAR SINGLET STATES AND RELATED METHODS DUKE UNIVERSITY 2017-11-16 US disclosed
US-20170326258-A1 CONTRAST AGENTS BASED ON LONG-LIVED NUCLEAR SINGLET STATES AND RELATED METHODS DUKE UNIVERSITY 2017-11-16 US disclosed
US-20170247391-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF WELLSPRING BIOSCIENCES LLC 2017-08-31 US disclosed
US-9642924-B2 Contrast agents based on long-lived nuclear singlet states and related methods DUKE UNIVERSITY (US) 2017-05-09 US disclosed
US-20100016270-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING CHOLESTEROL LEVELS ALLACCEM, INC. 2010-01-21 US disclosed
US-20100004218-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR RENAL THERAPY ALLACCEM, INC. 2010-01-07 US disclosed
US-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2009-12-03 US disclosed
US-20090074833-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING BONE RESORPTION ALLACCEM, INC. 2009-03-19 US disclosed
US-20090069435-A1 Bridged polycyclic compound based compositions for topical applications for pets ALLACCEM, INC. 2009-03-12 US disclosed
US-20080207581-A1 Applying to a surface one or more bridged polycyclic compounds comprising at least two cyclic groups defined in part by quaternary ammonium moieties; microbiocides; self-cleaning ALLACCEM, INC. 2008-08-28 US disclosed
US-20080064703-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBVIE INC. 2008-03-13 US disclosed
US-20070202342-A1 Applying to an oral surface (teeth or gums)one or more bridged polycyclic compounds comprising at least two cyclic groups defined in part by quaternary ammonium moieties; microbiocides; self-cleaning; dentistry; bonding agents, resin cements, sealants ALLACCEM, INC. 2007-08-30 US disclosed
US-7241773-B2 3-quinuclidinyl heteroatom bridged biaryl derivatives ABBOTT LABORATORIES (US) 2007-07-10 US disclosed
US-20070066592-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBVIE INC. 2007-03-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230152257-A1 METHODS AND COMPOSITIONS FOR SCREENING AND IDENTIFICATION OF SPLICING SNRPE, RBM17, SNRPA1 TP53 1016/4885NOS3 3535/4885NOS2 4025/4885
US-20090069435-A1 Bridged polycyclic compound based compositions for topical applications for pets OTC, SLC16A8, SLC16A7 TP53 804/4885NOS3 3811/4885NOS2 3364/4885
US-10246464-B2 Thienopyrimidine and thienopyridine compounds and methods of use thereof MLLT1, MEN1, TERF2IP TP53 768/4885NOS3 4776/4885NOS2 4634/4885
US-20100016270-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING CHOLESTEROL LEVELS PCSK9, HMGCR, CETP TP53 4241/4885NOS3 4611/4885NOS2 4456/4885
US-20170326258-A1 CONTRAST AGENTS BASED ON LONG-LIVED NUCLEAR SINGLET STATES AND RELATED METHODS OAT, RXFP1, RXFP2 TP53 1148/4885NOS3 1693/4885NOS2 1208/4885
US-20080207581-A1 Applying to a surface one or more bridged polycyclic compounds comprising at least two cyclic groups defined in part by quaternary ammonium moieties; microbiocides; self-cleaning DNMT1, TET2, CD14 TP53 2722/4885NOS3 1604/4885NOS2 963/4885
US-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY HDAC1, HDAC3, HAT1 TP53 2777/4885NOS3 580/4885NOS2 1853/4885
US-20210171519-A1 METHODS AND COMPOSITIONS FOR MODULATING SPLICING RBM17, SF3B1, SNRPA1 TP53 1932/4885NOS3 1924/4885NOS2 2491/4885
US-20080064703-A1 Fused bicycloheterocycle substituted quinuclidine derivatives IDO1, IDO2, HTR3C TP53 2554/4885NOS3 1210/4885NOS2 1501/4885
US-20100004218-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR RENAL THERAPY PKD1, PKD2, PAICS TP53 600/4885NOS3 4833/4885NOS2 4834/4885
US-20090074833-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING BONE RESORPTION BMP2, BMP1, BMP6 TP53 3570/4885NOS3 3085/4885NOS2 3112/4885
US-20070066592-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 TP53 4367/4885NOS3 2368/4885NOS2 2467/4885
US-11091475-B2 Methods and compositions for modulating splicing RBM17, SF3B1, SNRPA1 TP53 1932/4885NOS3 1924/4885NOS2 2491/4885
US-20170247391-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MEN1, TERF2IP TP53 768/4885NOS3 4776/4885NOS2 4634/4885
US-11673902-B2 Isoindolinone and indazole compounds for the degradation of EGFR EGFR, ERBB2, ERBB3 TP53 7/4885NOS3 3683/4885NOS2 3831/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.