SCHEMBL1607615

SCHEMBL1607615

COCc1ccc2cc[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
POLB P06746 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 1/20 0.55
TYR P14679 1/20 0.50
AHR P35869 3/20 0.46
CMA1 P23946 1/20 0.46
BACE1 P56817 4/20 0.44
NLRP3 Q96P20 3/20 0.44
ENPP2 Q13822 2/20 0.42
CYP2A6 P11509 1/20 0.42
MAOA P21397 2/20 0.41
ABL1 P00519 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DYRK1A Q13627 1/20 0.40
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 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
SCHEMBL13323483 0.86 MEN1 (0.51) MEN1POLBMAPK1KMT2ATYR
SCHEMBL3149877 0.85 USP2 (0.50) MEN1POLBMAPK1KMT2AAHR
SCHEMBL27607609 0.85 TYR (0.53) MEN1POLBMAPK1KMT2ATYR
SCHEMBL28853730 0.84 MEN1 (0.53) MEN1POLBMAPK1KMT2ATYR
SCHEMBL3536344 0.82 MEN1 (0.47) MEN1POLBMAPK1KMT2ATYR
SCHEMBL27672793 0.81 MEN1 (0.50) MEN1POLBMAPK1KMT2ATYR
SCHEMBL27386418 0.81 MEN1 (0.46) MEN1POLBMAPK1KMT2ATYR
SCHEMBL31271 0.79 AHR (0.50) MEN1POLBMAPK1KMT2ATYR
SCHEMBL6358132 0.77 AHR (0.46) MEN1POLBMAPK1KMT2ATYR
SCHEMBL27613423 0.77 CYP2A6 (0.50) MEN1POLBMAPK1KMT2ATYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112047871-B Preparation method of indole compound 南京大学 2022-06-21 CN disclosed
CN-112047871-A Preparation method of indole compound 南京大学 2020-12-08 CN disclosed
EP-2960238-B1 MONOCYCLIC PYRIDINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2017-04-05 EP disclosed
CN-104725295-A Aromatic heterocycle derivatives and application thereof to drugs GUANGDONG HEC PHARMACEUTICAL 2015-06-24 CN disclosed
US-8148413-B2 N-heteroaryl indole carboxamides and analogues thereof, for use as glucokinase activators in the treatment of diabetes TRANSTECH PHARMA, INC. (US) 2012-04-03 US disclosed
US-20110082144-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES TRANSTECH PHARMA, INC. (US) 2011-04-07 US disclosed
US-7812043-B2 N-heteroaryl indole carboxamides and analogues thereof, for use as glucokinase activators in the treatment of diabetes TRANSTECH PHARMA, INC. (US) 2010-10-12 US disclosed
EP-1555257-B1 PROCESS FOR PRODUCING AROMATIC NITRILE COMPOUND IHARA CHEMICAL IND CO (JP) 2010-01-20 EP disclosed
CN-100339360-C Process for producing aromatic nitrile compound IHARA CHEMICAL IND CO (JP) 2007-09-26 CN disclosed
US-7262316-B2 Process for producing aromatic nitrile compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-08-28 US disclosed
US-20070027140-A1 N-heteroaryl indole carboxamides and analogues thereof, for use as glcokinase activators in the treatment of diabetes NOVO NORDISK A/S (DK) 2007-02-01 US disclosed
EP-1689392-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2006-08-16 EP disclosed
US-20060069282-A1 Process for producing aromatic nitrile compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2006-03-30 US disclosed
CN-1714074-A Method for producing aromatic nitrile compound IHARA CHEMICAL IND CO (JP) 2005-12-28 CN disclosed
EP-1555257-A1 PROCESS FOR PRODUCING AROMATIC NITRILE COMPOUND IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2005-07-20 EP disclosed
WO-2005049019-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2005-06-02 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 (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-20070027140-A1 N-heteroaryl indole carboxamides and analogues thereof, for use as glcokinase activators in the treatment of diabetes GALK1, GCKR, GCK MEN1 4335/4885POLB 4417/4885MAPK1 1672/4885
US-20060069282-A1 Process for producing aromatic nitrile compound ODC1, ALKBH3, GNMT MEN1 1824/4885POLB 1788/4885MAPK1 2042/4885
US-20110082144-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES GCKR, GCK, GALK1 MEN1 3174/4885POLB 3396/4885MAPK1 1630/4885

“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.