SCHEMBL3871237

SCHEMBL3871237

NC(=O)c1cc2ccc[c]c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.38
FLT3 P36888 3/20 0.37
KDM4E B2RXH2 5/20 0.36
HSD17B10 Q99714 3/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
DAO P14920 1/20 0.36
SRD5A2 P31213 1/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.36
MAPK1 P28482 1/20 0.36
CCNC P24863 2/20 0.33
CDK8 P49336 2/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CFD P00746 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL970094 0.75 RAB9A (0.58) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL2470257 0.72 RHEB (0.40) MAP2K1FLT3KDM4EHSD17B10HPGD
SCHEMBL27819745 0.72
SCHEMBL29362757 0.71 FLT3 (0.71) MAP2K1FLT3KDM4EHSD17B10HPGD
SCHEMBL118686 0.71 FLT3 (0.71) MAP2K1FLT3KDM4EHSD17B10HPGD
Bromide SCHEMBL6056708 0.69 FLT3 (0.69) FLT3KDM4EHSD17B10HPGDMAPT
Water SCHEMBL30277651 0.69 FLT3 (0.69) FLT3KDM4EHSD17B10HPGDMAPT
Hydrochloric Acid SCHEMBL30071329 0.69 FLT3 (0.69) FLT3KDM4EHSD17B10HPGDMAPT
Hydrochloric Acid SCHEMBL20569802 0.69 FLT3 (0.69) FLT3KDM4EHSD17B10HPGDMAPT
Hydrochloric Acid SCHEMBL16463892 0.69 FLT3 (0.69) FLT3KDM4EHSD17B10HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009135925-A1 SUBSTITUTED N-IMIDAZO[2,1-B]THIAZOLE-5-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-11-12 WO claimed
EP-2116547-A1 Substituted N-imidazo(2, 1-b) thiazole-5-sulfonamide derivatives as 5-TH6 ligands Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-11-11 EP claimed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US claimed
EP-2116547-A1 Substituted N-imidazo(2, 1-b) thiazole-5-sulfonamide derivatives as 5-TH6 ligands Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-11-11 EP disclosed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US 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-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor VDAC1, TRPV1, HVCN1 MAP2K1 2975/4885FLT3 4454/4885KDM4E 2664/4885

“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.