SCHEMBL176305

SCHEMBL176305

O=C(O)Nc1cccc2cc(O)ccc12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.54
TRPV1 Q8NER1 11/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 2/20 0.53
POLB P06746 1/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
CDC25B P30305 1/20 0.48
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL2676769 0.86 TRPV1 (0.70) TRPV1MEN1KMT2ARAB9AKDM4E
SCHEMBL9156203 0.85 CASP6 (0.64) RXFP1TRPV1MEN1KMT2AGAA
SCHEMBL2747077 0.84 NPC1 (0.71) RXFP1TRPV1MEN1KMT2AGAA
SCHEMBL4624491 0.83 KDM4E (0.50) TRPV1MEN1KMT2AGAAPOLB
SCHEMBL25180947 0.81 RAB9A (0.47) TRPV1MEN1KMT2AGAARAB9A
SCHEMBL26885106 0.81 TRPV1 (0.50) RXFP1TRPV1MEN1KMT2AGAA
SCHEMBL11876012 0.81 RXFP1 (0.53) RXFP1TRPV1MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL10348701 0.81 TRPV1 (0.53) TRPV1MEN1KMT2AGAAPOLB
SCHEMBL10897449 0.81 RXFP1 (0.53) RXFP1TRPV1MEN1KMT2AGAA
SCHEMBL28457710 0.80 TRPV1 (0.53) RXFP1TRPV1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129854-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-24 US disclosed
EP-2424838-A1 PESTICIDAL ARYLPYRROLIDINES Bayer CropScience AG (DE) 2012-03-07 EP disclosed
WO-2010124845-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2010-11-04 WO disclosed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
EP-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 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 (2 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-20120129854-A1 Pesticidal Arylpyrrolidines DDT, AADAC, AHR RXFP1 2234/4885TRPV1 115/4885MEN1 3664/4885
US-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 RXFP1 3198/4885TRPV1 4489/4885MEN1 155/4885

“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.