SCHEMBL892780

SCHEMBL892780

O=C(Nc1ccccc1)c1cncs1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.71
GRM4 Q14833 1/20 0.55
NAMPT P43490 3/20 0.53
TDP1 Q9NUW8 3/20 0.52
HTT P42858 2/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
PTBP1 P26599 1/20 0.49
KLF5 Q13887 1/20 0.49
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
TP53 P04637 1/20 0.49
PPARG P37231 1/20 0.49
NCOA2 Q15596 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
CSF1R P07333 1/20 0.48
PTPN1 P18031 1/20 0.48
MEN1 O00255 3/20 0.47

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
SCHEMBL29684553 0.87 KMT2A (0.64) KMT2AGRM4HTTSMN1; SMN2LMNA
SCHEMBL892318 0.83 KMT2A (0.72) KMT2AGRM4NAMPTTDP1ALDH1A1
SCHEMBL6604871 0.83 KMT2A (1.00) KMT2AGRM4NAMPTHTTLMNA
SCHEMBL6605576 0.79 HPGD (0.54) KMT2AGRM4HTTALDH1A1SMN1; SMN2
SCHEMBL7919011 0.78 GRM4 (0.61) KMT2AGRM4NAMPTSMN1; SMN2LMNA
Ammonia Solution, Strong SCHEMBL20302197 0.78 GRM4 (0.60) KMT2AGRM4ALDH1A1SMN1; SMN2NPC1
SCHEMBL2438512 0.78 NPC1 (0.57) KMT2AGRM4SMN1; SMN2NPC1RAB9A
SCHEMBL23406006 0.77 GRM4 (0.57) KMT2AGRM4NAMPTALDH1A1SMN1; SMN2
SCHEMBL29743902 0.77 GRM4 (0.60) KMT2AGRM4NAMPTTDP1HTT
SCHEMBL23406038 0.77 GRM4 (0.60) KMT2AGRM4NAMPTTDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922374-A New catechol derivatives and the pharmaceutical composition containing it 自体吞噬科学有限公司 2018-04-17 CN claimed
CN-1043127-A Substituted thiazole and mycocide purposes thereof MONSANTO CO (US) 1990-06-20 CN claimed
CN-110218158-A A method of photocatalytic synthesis is at amide compound in water phase 福建医科大学 2019-09-10 CN disclosed
US-20190054068-A1 Indole Amide Derivatives and Related Compounds for Use in the Treatment of Neurodegenerative Diseases REMYND (BE) 2019-02-21 US disclosed
EP-3397746-A1 STABLE INOCULANT COMPOSITIONS AND METHODS FOR PRODUCING SAME Novozymes BioAG A/S (DK) 2018-11-07 EP disclosed
CN-107922374-A New catechol derivatives and the pharmaceutical composition containing it 自体吞噬科学有限公司 2018-04-17 CN disclosed
WO-2017116846-A1 STABLE INOCULANT COMPOSITIONS AND METHODS FOR PRODUCING SAME NOVOZYMES BIOAG A/S (DK) 2017-07-06 WO disclosed
WO-2017015451-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2017-01-26 WO disclosed
WO-2015050918-A1 CO-FORMULATIONS OF BIFENTHRIN WITH ENCAPSULATED CROP PROTECTION AGENTS FOR USE WITH LIQUID FERTILIZERS FMC CORPORATION (US) 2015-04-09 WO disclosed
US-8618138-B2 Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2013-12-31 US disclosed
US-20120083475-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-04-05 US disclosed
CN-101481359-A Cyclic protein tyrosine kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-07-15 CN disclosed
EP-2021344-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS Bayer CropScience AG (DE) 2009-02-11 EP disclosed
WO-2007115647-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2007-10-18 WO disclosed
EP-1761502-A1 N-PHENYLPYRAZOLE DERIVATIVES AS PESTICIDES Merial Limited (US) 2007-03-14 EP disclosed
WO-2006000313-A1 N-PHENYLPYRAZOLE DERIVATIVES AS PESTICIDES MERIAL LTD. (US) 2006-01-05 WO disclosed
CN-1348370-A Cyclic protein tyrosine kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2002-05-08 CN disclosed
CN-1021010-C SUBSTITUTED THIAZOLES COMPOSITION AND THEIR USE AS FUNGICIDES MONSANTO CO (US) 1993-06-02 CN disclosed
CN-1043127-A Substituted thiazole and mycocide purposes thereof MONSANTO CO (US) 1990-06-20 CN disclosed
CN-1043127-A Substituted thiazole and mycocide purposes thereof MONSANTO CO (US) 1990-06-20 CN 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 (2 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-20120083475-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, MAPT, NLN KMT2A 2251/4885GRM4 1570/4885NAMPT 536/4885
US-20190054068-A1 Indole Amide Derivatives and Related Compounds for Use in the Treatment of Neurodegenerative Diseases SNCA, MAPT, NLN KMT2A 2251/4885GRM4 1570/4885NAMPT 536/4885

“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.