SCHEMBL2117681

SCHEMBL2117681

CCOC(=O)c1nc(-c2ccccc2)c(-c2ccccc2)o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 7/20 0.63
KMT2A Q03164 3/20 0.60
RXRA P19793 2/20 0.58
RXRB P28702 2/20 0.58
RXRG P48443 1/20 0.58
ADORA3 P0DMS8 4/20 0.57
ALDH1A1 P00352 6/20 0.55
KDM4E B2RXH2 4/20 0.55
HPGD P15428 3/20 0.55
HSD17B10 Q99714 2/20 0.54
NR4A1 P22736 2/20 0.51
NR4A3 Q92570 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 1/20 0.51
ATM Q13315 1/20 0.51
TARBP2 Q15633 1/20 0.51
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL7500361 0.89 PTGS2 (0.62) NR4A2KMT2ARXRARXRBRXRG
SCHEMBL7501340 0.89 PTGS2 (0.62) NR4A2KMT2ARXRARXRBRXRG
SCHEMBL7499057 0.88 CA1 (0.58) NR4A2KMT2ARXRARXRBRXRG
SCHEMBL7505599 0.88 CA1 (0.58) NR4A2KMT2ARXRARXRBRXRG
SCHEMBL6228777 0.85 TARBP2 (0.56) NR4A2KMT2AALDH1A1KDM4EHPGD
SCHEMBL23833719 0.84 ALDH1A1 (0.51) KMT2AADORA3ALDH1A1KDM4EHPGD
SCHEMBL9428384 0.84 NR4A2 (0.69) NR4A2KMT2ARXRARXRBRXRG
SCHEMBL28462846 0.83 ALDH1A1 (0.52) KMT2AADORA3ALDH1A1KDM4EHPGD
SCHEMBL8556797 0.82 ALDH1A1 (0.46) NR4A2KMT2ARXRARXRBRXRG
SCHEMBL8558012 0.82 CA1 (0.44) NR4A2KMT2ARXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117546851-A Herbicidal compositions containing uracil compounds of carboxylate fragments and uses thereof 江苏中旗科技股份有限公司 2024-02-13 CN disclosed
US-8410097-B2 Heteropyrrole analogs acting on cannabinoid receptors UNIVERSITY OF CONNECTICUT (US) 2013-04-02 US disclosed
US-8410097-B2 Heteropyrrole analogs acting on cannabinoid receptors UNIVERSITY OF CONNECTICUT (US) 2013-04-02 US disclosed
US-8410097-B2 Heteropyrrole analogs acting on cannabinoid receptors UNIVERSITY OF CONNECTICUT (US) 2013-04-02 US disclosed
US-20120095047-A1 Novel Heteropyrrole Analogs Acting on Cannabinoid Receptors UNIVERSITY OF CONNECTICUT (US) 2012-04-19 US disclosed
US-20120095047-A1 Novel Heteropyrrole Analogs Acting on Cannabinoid Receptors UNIVERSITY OF CONNECTICUT (US) 2012-04-19 US disclosed
US-20120095047-A1 Novel Heteropyrrole Analogs Acting on Cannabinoid Receptors UNIVERSITY OF CONNECTICUT (US) 2012-04-19 US disclosed
US-8084451-B2 Heteropyrrole analogs acting on cannabinoid receptors UNIVERSITY OF CONNECTICUT (US) 2011-12-27 US disclosed
US-8084451-B2 Heteropyrrole analogs acting on cannabinoid receptors UNIVERSITY OF CONNECTICUT (US) 2011-12-27 US disclosed
US-8084451-B2 Heteropyrrole analogs acting on cannabinoid receptors UNIVERSITY OF CONNECTICUT (US) 2011-12-27 US disclosed
US-20100063050-A1 NOVEL HETEROPYRROLE ANALOGS ACTING ON CANNABINOID RECEPTORS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2010-03-11 US disclosed
US-20100063050-A1 NOVEL HETEROPYRROLE ANALOGS ACTING ON CANNABINOID RECEPTORS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2010-03-11 US disclosed
US-20100063050-A1 NOVEL HETEROPYRROLE ANALOGS ACTING ON CANNABINOID RECEPTORS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2010-03-11 US disclosed
EP-1845972-A2 NOVEL HETEROPYRROLE ANALOGS ACTING ON CANNABINIOD RECEPTORS University of Connecticut (US) 2007-10-24 EP disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
WO-2006074445-A2 NOVEL HETEROPYRROLE ANALOGS ACTING ON CANNABINIOD RECEPTORS MAKRIYANNIS ALEXANDROS (US) 2006-07-13 WO disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP 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-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 NR4A2 4500/4885KMT2A 4143/4885RXRA 4633/4885
US-20120095047-A1 Novel Heteropyrrole Analogs Acting on Cannabinoid Receptors CNR2, CNR1, GPR18 NR4A2 627/4885KMT2A 4192/4885RXRA 602/4885
US-20100063050-A1 NOVEL HETEROPYRROLE ANALOGS ACTING ON CANNABINOID RECEPTORS CNR2, CNR1, GPR18 NR4A2 627/4885KMT2A 4192/4885RXRA 602/4885

“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.