SCHEMBL4535781

SCHEMBL4535781

O=C(O)N1CCC[C@H]1COc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
MAPT P10636 5/20 0.48
FAAH O00519 2/20 0.46
RAB9A P51151 2/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.43
ENPP2 Q13822 1/20 0.43
MEN1 O00255 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL4517266 0.91 FAAH (0.46) ALDH1A1MAPTFAAHCHRNB4CHRNA3
SCHEMBL4524496 0.86 CHRNB4 (0.49) ALDH1A1FAAHCHRNB4CHRNA3SMN1; SMN2
SCHEMBL4514656 0.82 DPP4 (0.43) ALDH1A1CHRNB2CHRNA4
SCHEMBL4371494 0.78 ALOX5AP (0.45) ALDH1A1MAPTFAAHCHRNB4CHRNA3
SCHEMBL4371497 0.78 ALOX5AP (0.45) ALDH1A1MAPTFAAHCHRNB4CHRNA3
SCHEMBL23327657 0.76 CYP19A1 (0.54) ALDH1A1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL30882122 0.76 CYP19A1 (0.54) ALDH1A1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL22069670 0.76 CYP19A1 (0.57) ALDH1A1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL2564892 0.76 MAPT (0.53) ALDH1A1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL4533897 0.75 DPP4 (0.50) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 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 (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-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 ALDH1A1 2449/4885MAPT 3649/4885FAAH 4329/4885

“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.