SCHEMBL805096

SCHEMBL805096

CCC(C)c1ccnc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
KCNB1 Q14721 1/20 0.40
ALDH1A1 P00352 4/20 0.39
GAA P10253 2/20 0.39
USP2 O75604 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
AAK1 Q2M2I8 4/20 0.36
ACACB O00763 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL22363297 0.86 LOX (0.45) LOXLOXL2KCNB1AAK1ACACB
SCHEMBL24925813 0.84 ABCB11 (0.50) LOXLOXL2KCNB1AAK1ACACB
SCHEMBL18707542 0.84 LOX (0.49) LOXLOXL2KCNB1AAK1ACACB
SCHEMBL22299306 0.82 LOX (0.41) LOXLOXL2KCNB1HPGDAAK1
SCHEMBL31421700 0.81 LOX (0.48) LOXLOXL2KCNB1ALDH1A1HPGD
SCHEMBL84460 0.81 LOX (0.48) LOXLOXL2KCNB1ALDH1A1HPGD
SCHEMBL12093566 0.79 LOX (0.47) LOXLOXL2KCNB1AAK1ACACB
SCHEMBL20259848 0.78 LOX (0.44) LOXLOXL2KCNB1AAK1ACACB
SCHEMBL23376903 0.78 ALDH1A1 (0.41) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL22369466 0.78 LOX (0.50) LOXLOXL2KCNB1AAK1ACACB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230263784-A1 COMBINATION THERAPY USING A CHEMOKINE RECEPTOR 2 (CCR2) ANTAGONIST AND A PD-1/PD-L1 INHIBITOR CHEMOCENTRYX, INC. 2023-08-24 US disclosed
US-20230227474-A1 COMPOSITIONS AND METHODS FOR CORRECTION OF ABERRANT SPLICING SKYHAWK THERAPEUTICS, INC. (US) 2023-07-20 US disclosed
US-20230054781-A1 METHODS AND COMPOSITIONS FOR MODULATING SPLICING SKYHAWK THERAPEUTICS, INC. 2023-02-23 US disclosed
US-10781181-B2 N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2020-09-22 US disclosed
US-10398706-B2 Heteroaryldiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2019-09-03 US disclosed
US-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-01-03 US disclosed
US-20180193352-A1 HETEROARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2018-07-12 US disclosed
US-9957281-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2018-05-01 US disclosed
US-20170305863-A1 N-((HET) ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-10-26 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 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 (9 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-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) BCL6, BCL6B, EZH2 LOX 1594/4885LOXL2 2483/4885KCNB1 2707/4885
US-10398706-B2 Heteroaryldiazepine derivatives as RSV inhibitors CYP3A5, CYP3A43, CYP3A4 LOX 3596/4885LOXL2 3844/4885KCNB1 275/4885
US-20170305863-A1 N-((HET) ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KLKB1, BDKRB1, BDKRB2 LOX 268/4885LOXL2 970/4885KCNB1 258/4885
US-10781181-B2 N-((het) arylmethyl)-heteroaryl-carboxamides compounds as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 LOX 268/4885LOXL2 970/4885KCNB1 258/4885
US-20230227474-A1 COMPOSITIONS AND METHODS FOR CORRECTION OF ABERRANT SPLICING RBM17, SF3B1, SF3B5 LOX 4110/4885LOXL2 3731/4885KCNB1 3772/4885
US-20230263784-A1 COMBINATION THERAPY USING A CHEMOKINE RECEPTOR 2 (CCR2) ANTAGONIST AND A PD-1/PD-L1 INHIBITOR CCR2, PDCD1LG2, CD274 LOX 3332/4885LOXL2 1278/4885KCNB1 4559/4885
US-20180193352-A1 HETEROARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS CYP3A5, CYP3A43, CYP3A4 LOX 3596/4885LOXL2 3844/4885KCNB1 275/4885
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 LOX 3476/4885LOXL2 3346/4885KCNB1 4664/4885
US-20230054781-A1 METHODS AND COMPOSITIONS FOR MODULATING SPLICING RBM17, SF3B1, SF3B5 LOX 3433/4885LOXL2 3361/4885KCNB1 3811/4885

“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.