SCHEMBL6073752

SCHEMBL6073752

COc1cc([N+](=O)[O-])cnc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
PKM P14618 3/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 5/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
ERN1 O75460 1/20 0.43
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KAT2B Q92831 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40

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
SCHEMBL29865611 0.81 HTT (0.50) HTTPKMMAPTKMT2ALMNA
SCHEMBL2207311 0.81 HTT (0.50) HTTPKMMAPTKMT2ALMNA
SCHEMBL29701749 0.79 HTT (0.49) HTTPKMMAPTKMT2ALMNA
SCHEMBL17631174 0.79 HTT (0.49) HTTPKMMAPTKMT2ALMNA
SCHEMBL29764890 0.79 HTT (0.49) HTTPKMMAPTKMT2ALMNA
SCHEMBL181084 0.79 HTT (0.49) HTTPKMMAPTKMT2ALMNA
SCHEMBL3648669 0.79 ERN1 (0.50) HTTPKMMAPTKMT2ALMNA
SCHEMBL3586217 0.79 HTT (0.57) HTTPKMMAPTKMT2ALMNA
SCHEMBL15544574 0.77 PKM (0.48) HTTPKMMAPTKMT2ALMNA
SCHEMBL1028847 0.77 ALDH1A1 (0.48) HTTKMT2ATDP1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119207-B2 Benzoamide piperidine containing compounds and related compounds PFIZER INC (US) 2006-10-10 US disclosed
EP-1272484-B1 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PROD INC (US) 2005-07-20 EP disclosed
US-20030087925-A1 Benzoamide piperidine containing compounds and related compounds PFIZER INC. 2003-05-08 US disclosed
EP-1272484-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS Pfizer Products Inc. (US) 2003-01-08 EP disclosed
WO-2001077100-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-10-18 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-20030087925-A1 Benzoamide piperidine containing compounds and related compounds TACR1, VIPR1, VIPR2 HTT 868/4885PKM 291/4885MAPT 2751/4885

“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.