SCHEMBL276770

SCHEMBL276770

Cc1ccc(-n2nc(C(=O)O)c(C)c2-c2cccc([N+](=O)[O-])c2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
THRB P10828 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 1/20 0.43
AMY1A P0DUB6 1/20 0.42
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
PKM P14618 3/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
DNMT1 P26358 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MMP2 P08253 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
SCHEMBL277002 0.87 SMN1; SMN2 (0.51) MAPTSMN1; SMN2THRBNPC1RAB9A
SCHEMBL276997 0.83 CNR1 (0.56) MAPTACHE
SCHEMBL13437230 0.71 KDM4E (0.44) KDM4EMAPTMAPK1ALDH1A1PKM
SCHEMBL276982 0.69 KDM4E (0.43) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL11956702 0.67 PDE5A (0.52) KDM4EMAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL276999 0.67 CNR1 (0.60) MAPTACHE
SCHEMBL16197758 0.66 CNR1 (0.69)
SCHEMBL11158568 0.66 ALDH1A1 (0.57) MAPTSMN1; SMN2THRBNPC1RAB9A
SCHEMBL12907702 0.65 CNR2 (0.69)
SCHEMBL9795083 0.65 ALDH1A1 (0.48) MAPTSMN1; SMN2THRBNPC1RAB9A

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-8133904-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-03-13 US disclosed
US-8088798-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating obesity Jensen Discovery, Inc. 2012-01-03 US disclosed
US-20100144791-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2010-06-10 US disclosed
US-7687481-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating obesity JENRIN DISCOVERY, INC. (US) 2010-03-30 US disclosed
US-20090069329-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2009-03-12 US disclosed
US-20070213302-A1 pyrazoles; diabetes, cardiometabolic disorders; side effects reduction JENRIN DISCOVERY (US) 2007-09-13 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 (3 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-20100144791-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY CNR2, CNR1, GPR119 KDM4E 1728/4885MAPT 4267/4885SMN1; SMN2 4630/4885
US-20090069329-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY CNR2, CNR1, GPR119 KDM4E 1728/4885MAPT 4267/4885SMN1; SMN2 4630/4885
US-20070213302-A1 pyrazoles; diabetes, cardiometabolic disorders; side effects reduction CNR2, CNR1, GPR119 KDM4E 2057/4885MAPT 4569/4885SMN1; SMN2 4739/4885

“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.