SCHEMBL4377013

SCHEMBL4377013

CN1CCC(COc2cc([N+](=O)[O-])ccc2Cl)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.49
ACHE P22303 1/20 0.49
SCD O00767 1/20 0.48
SIGMAR1 Q99720 2/20 0.48
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
DRD4 P21917 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
SCHEMBL30125933 0.88 CYP19A1 (0.53) CYP19A1SCDSIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL10002964 0.88 CYP19A1 (0.53) CYP19A1SCDSIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL4367645 0.87 HRH3 (0.52) CYP19A1SCDSIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL21644446 0.85 DRD4 (0.51) CYP19A1ACHESIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL4495673 0.85 CYP19A1 (0.49) CYP19A1ACHESIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL446992 0.84 ACHE (0.51) CYP19A1ACHESIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL13419646 0.83 S1PR4 (0.50) CYP19A1ACHESIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL2124399 0.83 ACHE (0.49) CYP19A1ACHESIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL4363522 0.82 CYP19A1 (0.48) CYP19A1SCDSIGMAR1ALDH1A1KDM4E
SCHEMBL4369008 0.82 ALDH1A1 (0.50) CYP19A1SCDALDH1A1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 US disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 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 (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-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS CYP19A1 29/4885ACHE 1672/4885SCD 1618/4885

“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.