SCHEMBL2152873

SCHEMBL2152873

NC(=O)C(N)Cc1ccccc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.45
NOS1 P29475 3/20 0.45
NOS2 P35228 3/20 0.45
PARP10 Q53GL7 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
IDO1 P14902 2/20 0.41
SCN9A Q15858 3/20 0.40
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
SLC7A5 Q01650 1/20 0.40
MAPK8 P45983 1/20 0.39
CYP2A13 Q16696 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 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
SCHEMBL2152875 1.00 NOS3 (0.45) NOS3NOS1NOS2PARP10PPARG
SCHEMBL29400473 0.85 SLC7A5 (0.58) NOS3NOS1NOS2PPARGPPARA
SCHEMBL1250588 0.85 SLC7A5 (0.58) NOS3NOS1NOS2PPARGPPARA
SCHEMBL43302 0.85 SLC7A5 (0.58) NOS3NOS1NOS2PPARGPPARA
SCHEMBL43301 0.85 SLC7A5 (0.58) NOS3NOS1NOS2PPARGPPARA
SCHEMBL25413235 0.80 TAAR1 (0.42) NOS3NOS1NOS2PPARGPPARA
SCHEMBL16271273 0.80 POLB (0.43) NOS3NOS1NOS2PARP10PPARG
SCHEMBL30523454 0.80 POLB (0.43) NOS3NOS1NOS2PARP10PPARG
SCHEMBL25410822 0.80 TAAR1 (0.42) NOS3NOS1NOS2PPARGPPARA
SCHEMBL2152877 0.80 POLB (0.43) NOS3NOS1NOS2PARP10PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833789-B1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED INDOLINE-2-CARBOXYLIC ACID DSM IP ASSETS BV (NL) 2011-07-06 EP disclosed
CN-101090886-B Process for the preparation of enantiomerically enriched indoline-2-carboxylic acids DSM IP ASSETS BV 2011-05-18 CN disclosed
US-7732621-B2 Process for the preparation of enantiomerically enriched indoline-2-carboxylic acid DSM IP ASSETS B.V. (NL) 2010-06-08 US disclosed
EP-2069518-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE PHENYLALANINE COMPOUNDS FROM CINNAMIC ACID DERIVATIVES EMPLOYING A PHENYLALANINE AMMONIA LYASE DERIVED FROM IDIOMARINA LOIHIENSIS DSM IP ASSETS BV (NL) 2010-02-03 EP disclosed
EP-2069518-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE PHENYLALANINE COMPOUNDS FROM CINNAMIC ACID DERIVATIVES EMPLOYING A PHENYLALANINE AMMONIA LYASE DERIVED FROM IDIOMARINA LOIHIENSIS DSMIP Assets B.V. (NL) 2009-06-17 EP disclosed
US-20090043112-A1 Process for the Preparation of Enantiomerically Enriched Indoline-2-Carboxylic Acid DSM IP ASSETS B.V. (NL) 2009-02-12 US disclosed
WO-2008031578-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE PHENYLALANINE COMPOUNDS FROM CINNAMIC ACID DERIVATIVES EMPLOYING A PHENYLALANINE AMMONIA LYASE DERIVED FROM IDIOMARINA LOIHIENSIS DSM IP ASSETS B.V. (NL) 2008-03-20 WO disclosed
CN-101090886-A Process for the preparation of enantiomerically enriched indoline-2-carboxylic acids DSM IP ASSETS BV (NL) 2007-12-19 CN disclosed
EP-1833789-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED INDOLINE-2-CARBOXYLIC ACID DSMIP Assets B.V. (NL) 2007-09-19 EP disclosed
WO-2006069799-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED INDOLINE-2-CARBOXYLIC ACID DSM IP ASSETS B.V. (NL) 2006-07-06 WO disclosed
EP-1676838-A1 Process for the preparation of enantiomerically enriched indoline-2-carboxylic acid DSM IP Assets B.V. (NL) 2006-07-05 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 (1 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-20090043112-A1 Process for the Preparation of Enantiomerically Enriched Indoline-2-Carboxylic Acid IDO2, IDO1, KYNU NOS3 3090/4885NOS1 2787/4885NOS2 1848/4885

“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.