SCHEMBL4701513

SCHEMBL4701513

CCc1cccc(-c2ccccc2N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 1/20 0.52
HTR7 P34969 5/20 0.47
BCL2 P10415 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
IDO1 P14902 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NISCH Q9Y2I1 1/20 0.41
TP53 P04637 1/20 0.41
KIF11 P52732 2/20 0.41
NOTUM Q6P988 1/20 0.40
PTGS2 P35354 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
DHFR P00374 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
SCHEMBL28174451 0.87 HTR7 (0.42) ALDH1A1HSD17B10HTR7BCL2L3MBTL1
SCHEMBL3790240 0.83 ALDH1A1 (0.54) ALDH1A1HSD17B10HTR7L3MBTL1KIF11
SCHEMBL8459741 0.82 TP53 (0.52) ALDH1A1HTR7BCL2L3MBTL1IDO1
SCHEMBL27506720 0.82 BCL2 (0.41) ALDH1A1HSD17B10HTR7BCL2IDO1
SCHEMBL6011731 0.82 BCL2 (0.41) ALDH1A1HTR7BCL2L3MBTL1IDO1
SCHEMBL3726097 0.81 ALDH1A1 (0.57) ALDH1A1HSD17B10HTR7L3MBTL1LRRK2
SCHEMBL5162068 0.80 ALDH1A1 (0.71) ALDH1A1HSD17B10L3MBTL1IDO1NPC1
SCHEMBL15238989 0.79 BCL2 (0.49) ALDH1A1HTR7BCL2L3MBTL1IDO1
SCHEMBL7929104 0.79 HTR7 (0.67) ALDH1A1HTR7BCL2L3MBTL1IDO1
SCHEMBL9836058 0.79 ALDH1A1 (0.58) ALDH1A1HSD17B10L3MBTL1NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713335-B2 Aminocoumarin compounds and methods of their use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-08-01 US disclosed
US-20210009621-A1 AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2021-01-14 US disclosed
EP-3722301-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-10-14 EP disclosed
EP-3560940-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2019-10-30 EP disclosed
WO-2018038464-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2018-03-01 WO disclosed
EP-1434773-B1 HETEROARYL SUBSTITUTED TETRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2008-05-21 EP disclosed
US-7253190-B2 Heteroaryl substituted tetrazole modulators of metabotrophic glutamate receptor-5 MERCK & CO., INC. (US) 2007-08-07 US disclosed
EP-1434773-A4 HETEROARYL SUBSTITUTED TETRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2005-01-12 EP disclosed
US-20040186295-A1 Heteroaryl substituted tetrazole modulators of metabotrophic glutamate receptor-5 MERCK SHARP & DOHME LLC 2004-09-23 US disclosed
EP-1434773-A2 HETEROARYL SUBSTITUTED TETRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2004-07-07 EP disclosed
WO-2004030637-A2 TREATMENT OF OBESITY AND OTHER DISORDERS ASSOCIATED WITH EXCESSIVE FOOD INTAKE MERCK & CO., INC. (US) 2004-04-15 WO disclosed
WO-2003029210-A2 HETEROARYL SUBSTITUTED TETRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO. INC. (US) 2003-04-10 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-20040186295-A1 Heteroaryl substituted tetrazole modulators of metabotrophic glutamate receptor-5 GRM5, GRM1, GRIK5 ALDH1A1 3515/4885HSD17B10 2353/4885HTR7 120/4885
US-20210009621-A1 AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE AAAS, PROC, AADAC ALDH1A1 2104/4885HSD17B10 851/4885HTR7 3588/4885
US-11713335-B2 Aminocoumarin compounds and methods of their use AAAS, PROC, AADAC ALDH1A1 2104/4885HSD17B10 851/4885HTR7 3588/4885

“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.