SCHEMBL9790099

SCHEMBL9790099

O=C1c2ccccc2CCC1n1ccnc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.50
CYP17A1 P05093 1/20 0.45
KDM4E B2RXH2 2/20 0.41
SIGMAR1 Q99720 4/20 0.38
DRD2 P14416 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
HTR1A P08908 2/20 0.38
ACHE P22303 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL11278253 0.92 CYP19A1 (0.50) CYP19A1CYP17A1KDM4ESIGMAR1ACHE
SCHEMBL10965420 0.92 CYP19A1 (0.50) CYP19A1CYP17A1KDM4ESIGMAR1ACHE
Nitric Acid SCHEMBL10856651 0.91 CYP19A1 (0.43) CYP19A1CYP17A1KDM4ESIGMAR1DRD2
SCHEMBL10965318 0.91 CYP19A1 (0.46) CYP19A1CYP17A1KDM4ESIGMAR1ACHE
SCHEMBL10247615 0.85 CYP19A1 (0.47) CYP19A1CYP17A1KDM4EACHEMEN1
SCHEMBL1776354 0.85 CYP19A1 (0.47) CYP19A1CYP17A1KDM4EACHEMEN1
Hydrochloric Acid SCHEMBL9996072 0.84 CYP19A1 (0.46) CYP19A1KDM4EDRD2HTR2AHTR2C
SCHEMBL10861115 0.83 CYP17A1 (0.53) CYP19A1CYP17A1KDM4EMEN1MAPT
SCHEMBL10861209 0.81 CYP19A1 (0.51) CYP19A1CYP17A1
SCHEMBL10858721 0.81 CYP17A1 (0.44) CYP19A1CYP17A1DRD2HTR2AMAPT

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-9271963-B2 Selective inhibitors of human corticosteroid synthases UNIVERSITAT DES SAARLANDES (DE) 2016-03-01 US disclosed
US-20090221591-A1 Selective Inhibitors of Human Corticosteroid Synthases UNIVERSITAT DES SAARLANDES (DE) 2009-09-03 US disclosed
US-5006153-A Fungicides or plant growth regulator UNIROYAL CHEMICAL COMPANY, INC. (US) 1991-04-09 US disclosed
EP-0351979-A2 Azole derivatives of naphthaleone oxime esters UNIROYAL CHEMICAL COMPANY, Inc. (US) 1990-01-24 EP disclosed
US-4857649-A Azole derivatives of naphthalenone oxime esters UNIROYAL CHEMICAL COMPANY, INC. (US) 1989-08-15 US disclosed
US-4588738-A N-imidazolyl derivatives of 1,2,3,4-tetrahydro-naphthalene and indan as platelet aggregation inhibitors FARMITALIA CARLO ERBA S.P.A. (IT) 1986-05-13 US disclosed
EP-0057461-B1 IMIDAZOLE HYDRAZONE AND HYDRAZINE DERIVATIVES, PRODUCTION THEREOF AND USE IN MEDICINE G.D. Searle & Co. (US) 1985-10-16 EP disclosed
US-4492707-A ANTILIPEMIC AGENT FARMITALIA CARLO ERBA S.P.A. (IT) 1985-01-08 US disclosed
US-4377697-A Imidazole hydrazone and hydrazine derivatives G. D. SEARLE & CO. (US) 1983-03-22 US disclosed
EP-0057461-A1 Imidazole hydrazone and hydrazine derivatives, production thereof and use in medicine G.D. Searle & Co. (US) 1982-08-11 EP 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-20090221591-A1 Selective Inhibitors of Human Corticosteroid Synthases CYP11B1, HSD11B1, HSD17B1 CYP19A1 59/4885CYP17A1 9/4885KDM4E 3543/4885

“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.