SCHEMBL3060047

SCHEMBL3060047

NC(=O)c1cccc(OCc2nnn[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.47
TNKS O95271 1/20 0.44
PARP15 Q460N3 1/20 0.44
PARP14 Q460N5 1/20 0.44
PARP10 Q53GL7 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
F2 P00734 7/20 0.43
NR4A2 P43354 3/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
TTK P33981 1/20 0.41
MAPK8 P45983 1/20 0.41
MAOB P27338 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL4673753 0.86 PARP10 (0.43) PARP15PARP14PARP10F2MAOB
SCHEMBL3060051 0.79 MAOB (0.51) MAOB
SCHEMBL3044326 0.77 IDH1 (0.46) PARP1CYP4F2CYP4A11
SCHEMBL1243217 0.75 RAB9A (0.47) MAOB
SCHEMBL9329311 0.75 TAAR1 (0.48) CYP4F2CYP4A11MAOB
SCHEMBL1387246 0.73 NR4A2 (0.77) PARP10F2NR4A2MAOB
SCHEMBL9132731 0.72 ALDH1A1 (0.46) MAOB
SCHEMBL28029093 0.72 PARP1 (0.62) PARP1TNKSPARP15PARP14PARP10
SCHEMBL4672855 0.72 NCEH1 (0.38)
Hydrochloric Acid SCHEMBL27603151 0.72 NR4A2 (0.74) PARP10F2NR4A2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662839-B2 EP2 receptor agonists ASTERAND UK LIMITED (GB) 2010-02-16 US claimed
US-20100261760-A1 EP2 Receptor Agonists ASTERAND UK LIMITED (GB) 2010-10-14 US disclosed
US-7803841-B2 EP2 receptor agonists ASTERAND UK LIMITED (GB) 2010-09-28 US disclosed
US-7662839-B2 EP2 receptor agonists ASTERAND UK LIMITED (GB) 2010-02-16 US disclosed
US-20090298899-A1 EP2 RECEPTOR AGONISTS ASTERAND UK LIMITED 2009-12-03 US disclosed
US-20080119526-A1 EP receptor (for which the endogenous ligand is prostaglandin E2, PGE2); dysmenorrhoea, preterm labour, glaucoma, immune disorders, inflammatory disorders; e.g. {4-[(5-Phenyl-furan-2-carbonyl)-amino]-phenyl}-acetic acid PHARMAGENE LABORATORIES LIMITED (GB) 2008-05-22 US disclosed
US-7326732-B2 EP2 receptor agonists PHARMAGENE LABORATORIES LIMITED (GB) 2008-02-05 US disclosed
EP-1723132-A1 EP2 RECEPTOR AGONISTS ASTERAND UK LIMITED (GB) 2006-11-22 EP disclosed
US-20050256170-A1 EP receptor (for which the endogenous ligand is prostaglandin E2, PGE2); e.g. (4-[(5-Phenyl-furan-2-carbonyl)-amino]-phenyl)-acetic acid or 5-Phenyl-furan-2-carboxylic acid [3-(1H-tetrazol-5-yl)-phenyl]-amide; dysmenorrhoea, preterm labour, glaucoma, immune disorders, inflammatory disorders ASTERAND, INC. 2005-11-17 US disclosed
WO-2005080367-A1 EP2 RECEPTOR AGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2005-09-01 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 (4 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-20090298899-A1 EP2 RECEPTOR AGONISTS PTGER2, PTGER1, TBXA2R PARP1 1427/4885TNKS 1257/4885PARP15 1036/4885
US-20080119526-A1 EP receptor (for which the endogenous ligand is prostaglandin E2, PGE2); dysmenorrhoea, preterm labour, glaucoma, immune disorders, inflammatory disorders; e.g. {4-[(5-Phenyl-furan-2-carbonyl)-amino]-phenyl}-acetic acid PTGER3, PTGER4, PTGES3 PARP1 3229/4885TNKS 4448/4885PARP15 2567/4885
US-20100261760-A1 EP2 Receptor Agonists PTGER2, PTGER1, TBXA2R PARP1 1427/4885TNKS 1257/4885PARP15 1036/4885
US-20050256170-A1 EP receptor (for which the endogenous ligand is prostaglandin E2, PGE2); e.g. (4-[(5-Phenyl-furan-2-carbonyl)-amino]-phenyl)-acetic acid or 5-Phenyl-furan-2-carboxylic acid [3-(1H-tetrazol-5-yl)-phenyl]-amide; dysmenorrhoea, preterm labour, glaucoma, immune disorders, inflammatory disorders PTGER3, PTGER1, PTGER4 PARP1 2794/4885TNKS 4415/4885PARP15 2040/4885

“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.