SCHEMBL9974287

SCHEMBL9974287

CCCc1cccc(C(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.47
CTSS P25774 5/20 0.39
CTSK P43235 5/20 0.39
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
ADORA2A P29274 1/20 0.34
CYP19A1 P11511 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
BACE1 P56817 1/20 0.33
CXCR4 P61073 1/20 0.33

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
SCHEMBL8250521 0.89 KCNH2 (0.58) KCNH2NOS1NOS2ADORA2A
SCHEMBL10147431 0.86 KCNH2 (0.46) KCNH2CTSSCTSKNOS1NOS2
SCHEMBL9974291 0.85 KCNH2 (0.44) KCNH2CTSSCTSKNOS1NOS2
SCHEMBL1581851 0.83 KCNH2 (0.36) KCNH2NOS1NOS2ADORA2ACXCR4
SCHEMBL31481285 0.83 KCNH2 (0.36) KCNH2NOS1NOS2ADORA2ACXCR4
SCHEMBL9232330 0.82 KCNH2 (0.37) KCNH2NOS1NOS2ADORA2AHPGD
SCHEMBL27800481 0.82 KCNH2 (0.37) KCNH2NOS1NOS2ADORA2A
SCHEMBL12120627 0.82 SYK (0.40) KCNH2NOS1NOS2ADORA2A
SCHEMBL2522650 0.80 KCNH2 (0.67) KCNH2CTSSCTSKNOS1NOS2
SCHEMBL20207664 0.79 CYP1A2 (0.36) KCNH2NOS1NOS2ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020073011-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY ANNAPURNA BIO, INC. (US) 2020-04-09 WO disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-8933110-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-8785487-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
WO-2012082689-A1 SUBSTITUTED N-(1H-INDAZOL-4-YL)IMIDAZO[1,2-a]PYRIDINE-3-CARBOXAMIDE COMPOUNDS AS TYPE III RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-06-21 WO disclosed
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-08-04 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 (1 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-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 KCNH2 2968/4885CTSS 721/4885CTSK 1560/4885

“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.