SCHEMBL7893402

SCHEMBL7893402

CCCc1cc(C)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
LMNA P02545 2/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
SREBF2 Q12772 8/20 0.49
UHRF1 Q96T88 1/20 0.48
CCR1 P32246 1/20 0.48
CCR5 P51681 1/20 0.48
CCR8 P51685 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
ATM Q13315 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NOS2 P35228 3/20 0.47
NOS3 P29474 2/20 0.47
NOS1 P29475 2/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
HTR1A P08908 2/20 0.41

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
SCHEMBL29779666 0.88 NOS2 (0.50) KDM4ELMNACYP3A4TSHRSREBF2
SCHEMBL645891 0.88 NOS2 (0.50) KDM4ELMNACYP3A4TSHRSREBF2
Hydrochloric Acid SCHEMBL28783127 0.86 NOS2 (0.49) KDM4ELMNACYP3A4TSHRSREBF2
Iodide SCHEMBL29869193 0.86 NOS2 (0.49) KDM4ELMNACYP3A4TSHRSREBF2
Phosphine SCHEMBL27841866 0.86 NOS2 (0.49) KDM4ELMNACYP3A4TSHRSREBF2
SCHEMBL921653 0.86 KDM4E (0.47) KDM4ELMNACYP3A4TSHRSREBF2
SCHEMBL29473921 0.86 KDM4E (0.47) KDM4ELMNACYP3A4TSHRSREBF2
SCHEMBL1030077 0.86 KDM4E (0.47) KDM4ELMNACYP3A4TSHRSREBF2
SCHEMBL2547957 0.84 KCNH2 (0.48) KDM4ELMNACYP3A4TSHRSREBF2
SCHEMBL2551597 0.84 KCNH2 (0.48) KDM4ELMNACYP3A4TSHRSREBF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020132700-A1 METHODS OF USING INHIBITORS OF SREBP IN COMBINATION WITH NICLOSAMIDE AND ANALOGS THEREOF Fgh Biotech Inc. (US) 2020-06-25 WO disclosed
EP-3038622-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECH LLC (US) 2018-05-30 EP disclosed
US-9670172-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-06-06 US disclosed
US-9637477-B2 Therapeutic substituted pyrroles ALLERGAN, INC. (US) 2017-05-02 US disclosed
US-20150336940-A1 THERAPEUTIC SUBSTITUTED PYRROLES ALLERGAN, INC. 2015-11-26 US disclosed
US-20150065519-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES LLC 2015-03-05 US disclosed
US-7985765-B2 Therapeutic substituted pyrroles ALLERGAN, INC. (US) 2011-07-26 US disclosed
WO-2010089292-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-08-12 WO disclosed
US-20100048664-A1 THERAPEUTIC SUBSTITUTED PYRROLES ALLERGAN, INC. (US) 2010-02-25 US disclosed
WO-2009088986-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. (US) 2009-07-16 WO disclosed
WO-2009046448-A1 CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF INTELLIKINE, INC. (US) 2009-04-09 WO 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 (3 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-20150336940-A1 THERAPEUTIC SUBSTITUTED PYRROLES PTGS2, PTGES2, PTGIS KDM4E 1953/4885LMNA 3216/4885CYP3A4 3521/4885
US-20150065519-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRAS, VHL, ESRRB KDM4E 3356/4885LMNA 2671/4885CYP3A4 2057/4885
US-20100048664-A1 THERAPEUTIC SUBSTITUTED PYRROLES GOT2, FARS2, THPO KDM4E 2057/4885LMNA 4127/4885CYP3A4 2128/4885

“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.