SCHEMBL3391635

SCHEMBL3391635

CC1(C)C=Cc2cc(C(c3ccc(Cl)cc3)n3ccnc3)ccc2O1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 15/20 0.56
▸ CYP3A4 P08684 4/20 0.48
▸ CYP2D6 P10635 4/20 0.48
▸ CYP1A2 P05177 3/20 0.48
▸ FNTA P49354 1/20 0.42
▸ FNTB P49356 1/20 0.42

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
SCHEMBL3390099 0.90 CYP19A1 (0.53) CYP19A1CYP3A4
SCHEMBL3388807 0.86 CYP19A1 (0.42) CYP19A1
SCHEMBL3395050 0.83 CYP19A1 (0.48) CYP19A1CYP3A4
SCHEMBL10693298 0.75 CYP19A1 (1.00) CYP19A1CYP3A4CYP2D6CYP1A2
SCHEMBL9219622 0.74 HTR2C (0.54) CYP3A4
SCHEMBL11366789 0.70 CYP19A1 (1.00) CYP19A1CYP3A4CYP2D6CYP1A2FNTA
SCHEMBL3394928 0.69 CYP19A1 (0.50) CYP19A1
SCHEMBL14116477 0.69 CYP19A1 (0.63) CYP19A1CYP3A4CYP2D6CYP1A2FNTA
SCHEMBL8917184 0.69 CYP19A1 (0.84) CYP19A1CYP3A4CYP2D6CYP1A2
SCHEMBL9582367 0.68 HIF1A (0.45) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087478-A1 HIF-1 Inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-08 — — US claimed
US-20070099952-A1 Hif-1 inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 — — US claimed
EP-1613311-A2 HIF-1 INHIBITORS Emory University (US) 2006-01-11 — — EP claimed
WO-2004087066-A2 HIF-1 INHIBITORS EMORY UNIVERSITY (US) 2004-10-14 — — WO claimed
US-20100087478-A1 HIF-1 Inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-08 — — US disclosed
US-7652033-B2 HIF-1 inhibitors EMORY UNIVERSITY (US) 2010-01-26 — — US disclosed
US-20070099952-A1 Hif-1 inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 — — US disclosed
US-20070099952-A1 Hif-1 inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 — — 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 (2 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-20070099952-A1 Hif-1 inhibitors HIF1AN, HIF1A, EGLN2 CYP19A1 1742/4885CYP3A4 3468/4885CYP2D6 2337/4885
US-20100087478-A1 HIF-1 Inhibitors HIF1AN, HIF1A, EGLN2 CYP19A1 1742/4885CYP3A4 3468/4885CYP2D6 2337/4885

“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.

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