SCHEMBL2597846

SCHEMBL2597846

O=C1NC(C(=O)O)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.51
EDNRA P25101 2/20 0.46
EDNRB P24530 1/20 0.46
CYP1A2 P05177 1/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
PARP1 P09874 1/20 0.45
TNKS2 Q9H2K2 4/20 0.42
PARP3 Q9Y6F1 1/20 0.41
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PBRM1 Q86U86 1/20 0.41
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL21253062 0.84 MAPT (0.49) HSD17B10EDNRAEDNRBCYP1A2HTR2A
SCHEMBL3751967 0.83 HSD17B10 (0.58) HSD17B10EDNRAEDNRBCYP1A2HTR2A
SCHEMBL13135997 0.83 HSD17B10 (0.50) HSD17B10CYP1A2HTR2AHTR2CHTR2B
SCHEMBL125094 0.81 MAPT (0.44) HSD17B10EDNRAEDNRBCYP1A2HTR2B
SCHEMBL8585951 0.81 MAPT (0.44) HSD17B10EDNRAEDNRBCYP1A2HTR2B
SCHEMBL11612863 0.80 HSD17B10 (0.55) HSD17B10EDNRAEDNRBCYP1A2HTR2A
SCHEMBL22333014 0.79 HSD17B10 (0.50) HSD17B10EDNRAEDNRBCYP1A2HTR2A
SCHEMBL19551118 0.79 HSD17B10 (0.50) HSD17B10EDNRAEDNRBCYP1A2HTR2A
SCHEMBL19551053 0.79 HSD17B10 (0.50) HSD17B10EDNRAEDNRBCYP1A2HTR2A
SCHEMBL14398778 0.77 HSD17B10 (0.51) HSD17B10EDNRAEDNRBCYP1A2HTR2A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3452466-B1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-08-12 EP disclosed
US-10150760-B2 Compounds for use in preparing heterocyclic triazole agonists of the APJ receptor AMGEN INC. (US) 2018-12-11 US disclosed
US-20180222895-A1 COMPOUNDS FOR USE IN PREPARING HETEROCYCLIC TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2018-08-09 US disclosed
US-9988369-B2 Heterocyclic triazole compounds as agonists of the APJ receptor AMGEN INC. (US) 2018-06-05 US disclosed
US-20170320860-A1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-11-09 US disclosed
EP-2571860-A1 2-PHENYL BENZOYLAMIDES Pfizer Inc (US) 2013-03-27 EP disclosed
US-20130072519-A1 2-PHENYL BENZOYLAMIDES CONN EDWARD LEE (US) 2013-03-21 US disclosed
WO-2011145022-A1 2-PHENYL BENZOYLAMIDES PFIZER INC. (US) 2011-11-24 WO disclosed
US-7795267-B2 Bicyclic piperazine compound having TGR23 antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
EP-0261803-A1 Improved process for [1H]-isoindolin-1-one-3-carboxylic acid PFIZER INC. (US) 1988-03-30 EP disclosed
US-4730056-A Process for (1H)-isoindolin-1-one-3-carboxylic acid PFIZER INC. (US) 1988-03-08 US disclosed
US-4730056-A Process for (1H)-isoindolin-1-one-3-carboxylic acid PFIZER INC. (US) 1988-03-08 US disclosed
US-4730056-A Process for (1H)-isoindolin-1-one-3-carboxylic acid PFIZER INC. (US) 1988-03-08 US disclosed
EP-0093805-B1 OCTAHYDRO-2-(OMEGA-MERCAPTOALKANOYL)3-OXO-1H-ISOINDOLE-1-CARBOXYLIC ACIDS AND ESTERS WARNER-LAMBERT COMPANY (US) 1987-05-13 EP disclosed
US-4503043-A HYPOTENSIVES WARNER-LAMBERT COMPANY (US) 1985-03-05 US disclosed
EP-0058567-B1 SUBSTITUTED ACYL DERIVATIVES OF OCTAHYDRO-1H-ISOINDOLE-1-CARBOXYLIC ACIDS AND ESTERS WARNER-LAMBERT COMPANY (US) 1984-07-25 EP disclosed
EP-0093805-A1 Octahydro-2-(omega-mercaptoalkanoyl)3-oxo-1H-isoindole-1-carboxylic acids and esters WARNER-LAMBERT COMPANY (US) 1983-11-16 EP disclosed
EP-0058567-A1 Substituted acyl derivatives of octahydro-1H-isoindole-1-carboxylic acids and esters WARNER-LAMBERT COMPANY (US) 1982-08-25 EP disclosed
US-4324667-A Process for purification of waste waters from aromatic amines KONSTANTINOV IGOR I 1982-04-13 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 (5 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-20180222895-A1 COMPOUNDS FOR USE IN PREPARING HETEROCYCLIC TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, APLNR, GPR27 HSD17B10 2969/4885EDNRA 211/4885EDNRB 228/4885
US-20130072519-A1 2-PHENYL BENZOYLAMIDES APOB, MTTP, HADHB HSD17B10 191/4885EDNRA 3617/4885EDNRB 2280/4885
US-20070072865-A1 Bicyclic piperazine compound and use thereof GPR3, FFAR3, LPAR3 HSD17B10 514/4885EDNRA 481/4885EDNRB 445/4885
US-10150760-B2 Compounds for use in preparing heterocyclic triazole agonists of the APJ receptor TBXA2R, APLNR, GPR27 HSD17B10 2969/4885EDNRA 211/4885EDNRB 228/4885
US-20170320860-A1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR TBXA2R, APLNR, AGTR1 HSD17B10 1912/4885EDNRA 65/4885EDNRB 99/4885

“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.