SCHEMBL153758

SCHEMBL153758

Nc1cc2c(cc1F)CC(=O)N2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
AHR P35869 4/20 0.44
CMA1 P23946 2/20 0.44
EIF2AK2 P19525 1/20 0.43
PDK2 Q15119 1/20 0.41
GRIA1 P42261 2/20 0.41
CACNG8 Q8WXS5 2/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
CA9 Q16790 1/20 0.40
MAOB P27338 2/20 0.39
KIF11 P52732 1/20 0.39
EPHX2 P34913 1/20 0.38
PGR P06401 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
TDP2 O95551 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL31727396 1.00 HDAC3 (0.46) HDAC3AHRCMA1EIF2AK2PDK2
SCHEMBL2491904 0.84 AHR (0.50) HDAC3AHRCMA1EIF2AK2PDK2
SCHEMBL548762 0.84 AHR (0.50) HDAC3AHRCMA1EIF2AK2PDK2
SCHEMBL522090 0.84 CA9 (0.54) CA9KIF11
SCHEMBL15929644 0.78 GRIA1 (0.47) AHRCMA1EIF2AK2PDK2GRIA1
SCHEMBL31727129 0.78 AHR (0.53) AHRCMA1EIF2AK2PDK2GRIA1
SCHEMBL1847559 0.78 AHR (0.53) HDAC3AHRCMA1EIF2AK2PDK2
SCHEMBL30224280 0.78 AHR (0.53) HDAC3AHRCMA1EIF2AK2PDK2
SCHEMBL153860 0.78 AHR (0.53) HDAC3AHRCMA1EIF2AK2PDK2
SCHEMBL222332 0.78 AHR (0.53) AHRCMA1EIF2AK2PDK2GRIA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150287-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF HANGZHOU APELOA MEDICINE RESEARCH INSTITUTE CO., LTD. (CN) 2024-05-09 US disclosed
EP-4282865-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF Hangzhou Apeloa Medicine Research Institute Co., Ltd. (CN) 2023-11-29 EP disclosed
CN-116997550-A N- (benzoyl) -phenylalanine compounds, pharmaceutical compositions containing same and application thereof 杭州普洛药物研究院有限公司 2023-11-03 CN disclosed
WO-2023078207-A1 6-POSITION-SUBSTITUTED INDOLINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 南京中医药大学 2023-05-11 WO disclosed
CN-114853659-A N- (benzoyl) -phenylalanine compounds, pharmaceutical compositions containing same, and uses thereof 普洛药业股份有限公司 2022-08-05 CN disclosed
EP-2838531-B1 INDOLIN-2-ONE DERIVATIVES AS PROTEIN KINASE INHIBITORS ANNJI PHARM CO LTD (CN) 2016-09-21 EP disclosed
US-8946282-B2 Indolin-2-one derivatives as protein kinase inhibitors Annji Pharmaceutical Co., Ltd. (TW) 2015-02-03 US disclosed
US-8697692-B2 Pyrrolo [3,2-c] pyridine-4-one 2-indolinone protein kinase inhibitors SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2014-04-15 US disclosed
US-20130303518-A1 Methods of Inhibiting the Catalytic Activity of a Protein Kinase and of Treating a Protein Kinase Related Disorder SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2013-11-14 US disclosed
US-20130303518-A1 Methods of Inhibiting the Catalytic Activity of a Protein Kinase and of Treating a Protein Kinase Related Disorder SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2013-11-14 US disclosed
EP-1973910-A1 PYRROLO Ý3,2-C¨PYRIDINE-4-ONE 2-INDOLINONE PROTEIN KINASE INHIBITORS Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2008-10-01 EP disclosed
WO-2008100457-A2 FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2008-08-21 WO disclosed
US-20080027100-A1 Functionally selective alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA, INC. 2008-01-31 US disclosed
US-20080027100-A1 Functionally selective alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA, INC. 2008-01-31 US disclosed
WO-2007085188-A1 PYRROLO [3,2-C] PYRIDINE-4-ONE 2-INDOLINONE PROTEIN KINASE INHIBITORS SHANGHAI HENGRUI PHARMACEUTICAL CO. LTD. (CN) 2007-08-02 WO disclosed
US-20070099872-A1 Functionally selective alpha2C adrenoreceptor agonists SCHERING CORPORATION 2007-05-03 US disclosed
US-20070099872-A1 Functionally selective alpha2C adrenoreceptor agonists SCHERING CORPORATION 2007-05-03 US disclosed
WO-2007024944-A1 IMIDAZOLE DERIVATIVES AS FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2007-03-01 WO disclosed
US-5252536-A Substituted indolinones useful as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1993-10-12 US disclosed
EP-0549892-A1 Substituted indolinones useful as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1993-07-07 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 (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-20240150287-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF ITGB7, ITGB4, ITGA4 HDAC3 1565/4885AHR 1172/4885CMA1 1058/4885
US-20130303518-A1 Methods of Inhibiting the Catalytic Activity of a Protein Kinase and of Treating a Protein Kinase Related Disorder PRKACA, PACSIN2, PRKACB HDAC3 2871/4885AHR 4803/4885CMA1 800/4885
US-20080027100-A1 Functionally selective alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A HDAC3 2055/4885AHR 414/4885CMA1 1182/4885
US-20070099872-A1 Functionally selective alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A HDAC3 2055/4885AHR 414/4885CMA1 1182/4885

“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.