SCHEMBL17866243

SCHEMBL17866243

CCc1c(C(=O)O)sc2cccc(N(C)C)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 7/20 0.43
MAPK1 P28482 2/20 0.43
GPR35 Q9HC97 1/20 0.39
GRM1 Q13255 1/20 0.39
STING1 Q86WV6 4/20 0.39
GAA P10253 3/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 3/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 4/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BCL2 P10415 1/20 0.36
BCL2L1 Q07817 1/20 0.36
BAD Q92934 1/20 0.36
OGG1 O15527 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL4860970 0.79 MCL1 (0.45) MCL1MAPK1GPR35STING1GAA
SCHEMBL26778431 0.79 MCL1 (0.65) MCL1MAPK1STING1KDM4EMAPT
SCHEMBL20937648 0.72 MCL1 (0.58) MCL1MAPK1GAATSHRKDM4E
SCHEMBL1482745 0.70 ALDH1A1 (0.48) GAATSHRKDM4EMAPTALDH1A1
SCHEMBL1509344 0.70 MAPT (0.56) MCL1MAPK1GRM1GAATSHR
Hydrochloric Acid SCHEMBL8548770 0.70 HTR1A (0.45) MCL1MAPK1KDM4EMAPTALDH1A1
SCHEMBL14894804 0.70 GPR35 (0.46) MCL1MAPK1GPR35STING1MAPT
SCHEMBL6614808 0.69 MCL1 (0.45) MCL1MAPK1GPR35STING1GAA
SCHEMBL27697479 0.69 STING1 (0.41) MCL1MAPK1GPR35STING1BCL2
SCHEMBL9433145 0.68 MCL1 (0.65) MCL1MAPK1STING1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237547-B1 DIRECT DYES AND COMPOSITION COMPRISING THE DYES KAO GERMANY GMBH (DE) 2019-03-20 EP disclosed
US-10196520-B2 Direct dyes and composition comprising the dyes KAO GERMANY GMBH (DE) 2019-02-05 US disclosed
US-20170362436-A1 DIRECT DYES AND COMPOSITION COMPRISING THE DYES KAO GERMANY GMBH (DE) 2017-12-21 US disclosed
EP-3237547-A1 DIRECT DYES AND COMPOSITION COMPRISING THE DYES Kao Germany GmbH (DE) 2017-11-01 EP disclosed
WO-2016102207-A1 DIRECT DYES AND COMPOSITION COMPRISING THE DYES KAO GERMANY GMBH (DE) 2016-06-30 WO disclosed
EP-3037485-A1 Direct dyes and composition comprising the dyes Kao Germany GmbH (DE) 2016-06-29 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 (1 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-10196520-B2 Direct dyes and composition comprising the dyes KRT18, TUBB4A, BRDT MCL1 4226/4885MAPK1 2948/4885GPR35 2207/4885

“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.