SCHEMBL4367645

SCHEMBL4367645

CC(C)N1CCC(COc2cc([N+](=O)[O-])ccc2Cl)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.52
CYP19A1 P11511 2/20 0.47
SCD O00767 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A4 P31645 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
SCHEMBL4377013 0.87 CYP19A1 (0.49) CYP19A1SCDSIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL10002964 0.85 CYP19A1 (0.53) CYP19A1SCDSIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL30125933 0.85 CYP19A1 (0.53) CYP19A1SCDSIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL449803 0.83 HRH3 (0.51) HRH3CYP19A1SIGMAR1ALDH1A1KDM4E
SCHEMBL13861984 0.81 HRH3 (0.45) HRH3ALDH1A1KDM4ETDP1KMT2A
SCHEMBL4368712 0.80 CHRNB4 (0.48) CYP19A1SCDALDH1A1SMN1; SMN2KDM4E
SCHEMBL4368713 0.80 CHRNB4 (0.48) CYP19A1SCDALDH1A1SMN1; SMN2KDM4E
SCHEMBL4369776 0.80 HRH3 (0.44) HRH3ALDH1A1SLC6A4
SCHEMBL4363522 0.80 CYP19A1 (0.48) CYP19A1SCDSIGMAR1ALDH1A1KDM4E
SCHEMBL4369008 0.79 ALDH1A1 (0.50) CYP19A1SCDALDH1A1SMN1; SMN2KDM4E

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 HRH3 1721/4885CYP19A1 29/4885SCD 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.