SCHEMBL4363522

SCHEMBL4363522

O=[N+]([O-])c1ccc(Cl)c(OCC2CCNCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.48
SCD O00767 1/20 0.45
MAP2K1 Q02750 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SIGMAR1 Q99720 2/20 0.41
VCAM1 P19320 1/20 0.40
ALDH1A1 P00352 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR3A P46098 1/20 0.40
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CNR2 P34972 1/20 0.39

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 0.91 CYP19A1 (0.53) CYP19A1SCDHSD17B10SIGMAR1VCAM1
SCHEMBL10002964 0.91 CYP19A1 (0.53) CYP19A1SCDHSD17B10SIGMAR1VCAM1
SCHEMBL4377013 0.82 CYP19A1 (0.49) CYP19A1SCDSIGMAR1ALDH1A1KDM4E
SCHEMBL13419634 0.82 S1PR4 (0.49) CYP19A1SIGMAR1ALDH1A1SLC6A2SLC6A4
SCHEMBL445361 0.81 CYP19A1 (0.45) CYP19A1SIGMAR1SLC6A2SLC6A4HTR3A
SCHEMBL4362951 0.80 CHRNA3 (0.46) SCDSLC6A2SLC6A4
SCHEMBL4362945 0.80 CHRNA3 (0.46) SCDSLC6A2SLC6A4
SCHEMBL4367645 0.80 HRH3 (0.52) CYP19A1SCDSIGMAR1ALDH1A1SLC6A4
SCHEMBL2564892 0.80 MAPT (0.53) CYP19A1HSD17B10SIGMAR1ALDH1A1LMNA
SCHEMBL4500135 0.79 SLC6A4 (0.52) MAP2K1SLC6A2SLC6A4HTR3AKCNH2

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 29/4885SCD 1618/4885MAP2K1 3832/4885

“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.