SCHEMBL4445671

SCHEMBL4445671

NC(=O)c1sccc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 2/20 1.00
KMT2A Q03164 3/20 0.48
RXFP1 Q9HBX9 2/20 0.48
ALDH1A1 P00352 3/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RORB Q92753 2/20 0.47
MAPK8 P45983 1/20 0.46
MAPK10 P53779 1/20 0.46
IKBKB O14920 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
BTK Q06187 1/20 0.46
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
MEN1 O00255 2/20 0.42

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
Hydrochloric Acid SCHEMBL31228833 0.98 BCAT2 (0.96) BCAT2KMT2ARXFP1ALDH1A1TSHR
SCHEMBL9121778 0.84 BCAT2 (0.72) BCAT2KMT2ARXFP1ALDH1A1TSHR
SCHEMBL1670982 0.84 BCAT2 (0.72) BCAT2KMT2ARXFP1ALDH1A1TSHR
Oxalic Acid SCHEMBL27447145 0.82 BCAT2 (0.70) BCAT2KMT2ARXFP1ALDH1A1TSHR
SCHEMBL2231308 0.81 BCAT2 (0.69) BCAT2KMT2AALDH1A1TSHRL3MBTL1
SCHEMBL6667283 0.81 BCAT2 (0.69) BCAT2ALDH1A1IKBKBHPGDPTGS1
SCHEMBL27353967 0.81 BCAT2 (0.69) BCAT2IKBKBCYP1A2CYP3A4CYP2C9
SCHEMBL6669302 0.81 BCAT2 (0.68) BCAT2ALDH1A1IKBKBCYP1A2CYP3A4
SCHEMBL30423537 0.81 BCAT2 (0.68) BCAT2ALDH1A1RORBIKBKBCYP1A2
SCHEMBL8084435 0.81 BCAT2 (0.68) BCAT2KMT2ARXFP1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108976172-A A kind of 4- pyrimidinediamine micromolecular organic compound and its derivative and its application 华东师范大学 2018-12-11 CN claimed
CN-1414965-A Sulfonamides and derivatives thereof that modulate the activeity of endothelin TEXAS BIOTECHNOLOGY CORP (US) 2003-04-30 CN claimed
WO-2025151311-A1 NICOTINAMIDE DERIVATIVES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2025-07-17 WO disclosed
WO-2023028117-A1 METHODS OF TREATING CDGSH IRON SULFUR DOMAIN 2 INSUFFICIENCY-ASSOCIATED DISORDERS YEH, TENG-KUANG (US) 2023-03-02 WO disclosed
CN-108976172-A A kind of 4- pyrimidinediamine micromolecular organic compound and its derivative and its application 华东师范大学 2018-12-11 CN disclosed
CN-108863832-A A kind of preparation method of N- arylamides 河南大学 2018-11-23 CN disclosed
US-8906899-B2 Azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2014-12-09 US disclosed
EP-2681205-A1 BIARYL DERIVATIVES AS SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 2 INHIBITORS Universität des Saarlandes (DE) 2014-01-08 EP disclosed
US-20130303513-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-11-14 US disclosed
US-8501726-B2 Azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-08-06 US disclosed
WO-2012117097-A1 BIARYL DERIVATIVES AS SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 2 INHIBITORS Universität des Saarlandes (DE) 2012-09-07 WO disclosed
US-20120142663-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
CN-100471853-C Phenyl-thiophene type vitamin D receptor modulators LILLY CO ELI (US) 2009-03-25 CN disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
CN-1656089-A Phenyl-thiophene type vitamin D receptor modulators LILLY CO ELI (US) 2005-08-17 CN disclosed
CN-1414965-A Sulfonamides and derivatives thereof that modulate the activeity of endothelin TEXAS BIOTECHNOLOGY CORP (US) 2003-04-30 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 (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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 BCAT2 3816/4885KMT2A 3992/4885RXFP1 181/4885
US-20130303513-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR2, S1PR5 BCAT2 4874/4885KMT2A 3390/4885RXFP1 191/4885
US-20120142663-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR2, S1PR5 BCAT2 4874/4885KMT2A 3390/4885RXFP1 191/4885

“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.