SCHEMBL3323199

SCHEMBL3323199

CC(=O)Nc1cc2c([N+](=O)[O-])cccc2cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.52
GAA P10253 1/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
POLB P06746 2/20 0.50
KDM4E B2RXH2 1/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
HTT P42858 1/20 0.44
MCL1 Q07820 1/20 0.43
PTK2B Q14289 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL4021125 0.79 L3MBTL1 (0.45) KDM4EALDH1A1L3MBTL1EGFR
SCHEMBL12540845 0.78 MEN1 (0.50) CYP1A2GAAMEN1KMT2APOLB
SCHEMBL4022164 0.77 ALDH1A1 (0.43) CYP1A2GAAMEN1KMT2APOLB
SCHEMBL4027042 0.77 ALDH1A1 (0.46) CYP1A2MEN1KMT2APOLBKDM4E
SCHEMBL1348958 0.77 ALDH1A1 (0.54) CYP1A2MEN1KMT2APOLBKDM4E
SCHEMBL4023657 0.77 ALDH1A1 (0.51) CYP1A2GAAMEN1KMT2APOLB
SCHEMBL8541158 0.76 ALDH1A1 (0.47) CYP1A2MEN1KMT2APOLBKDM4E
SCHEMBL12814368 0.76 JAK1 (0.45) MEN1KMT2AKDM4EL3MBTL1EGFR
SCHEMBL29643004 0.76 CYP1A2 (0.55) CYP1A2GAAMEN1KMT2APOLB
SCHEMBL2019522 0.76 CYP1A2 (0.55) CYP1A2GAAMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609692-B2 TRPV1 antagonists ABBVIE INC. (US) 2013-12-17 US disclosed
US-8604053-B2 TRPV1 antagonists ABBVIE INC. (US) 2013-12-10 US disclosed
CN-102245587-A Trpv1 antagonists ABBOTT LAB 2011-11-16 CN disclosed
CN-102186836-A Trpv1 antagonists ABBOTT LAB 2011-09-14 CN disclosed
US-20100137360-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-06-03 US disclosed
US-20100120846-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-05-13 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 (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-20100137360-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 CYP1A2 1816/4885GAA 3185/4885MEN1 2938/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 CYP1A2 1731/4885GAA 3378/4885MEN1 2964/4885

“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.