SCHEMBL3756405

SCHEMBL3756405

COc1ccc(/C=C\C(=O)Nc2ccc3nc(N4CCC(N(C)C)C4)sc3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.56
MCHR1 Q99705 8/20 0.51
TP53 P04637 3/20 0.49
HRH3 Q9Y5N1 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
KCNH2 Q12809 1/20 0.45
LMNA P02545 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44

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
SCHEMBL13054110 1.00 MAPT (0.56) MAPTMCHR1TP53HRH3KDM4E
SCHEMBL3756410 1.00 MAPT (0.56) MAPTMCHR1TP53HRH3KDM4E
SCHEMBL3754936 0.91 MAPT (0.55) MAPTMCHR1TP53
SCHEMBL13054094 0.91 MAPT (0.55) MAPTMCHR1TP53
SCHEMBL3754940 0.91 MAPT (0.55) MAPTMCHR1TP53
SCHEMBL4642917 0.90 MCHR1 (0.53) MAPTMCHR1KCNH2
SCHEMBL13054103 0.90 MCHR1 (0.53) MAPTMCHR1KCNH2
SCHEMBL4642923 0.90 MCHR1 (0.53) MAPTMCHR1KCNH2
SCHEMBL13054090 0.90 MAPT (0.46) MAPTMCHR1TP53KCNH2LMNA
SCHEMBL13054106 0.90 MAPT (0.47) MAPTMCHR1TP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838543-B2 Melanin Concentrating Hormone Receptor 1; Obesity; 4'-Fluoro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}amide; 4-Cyclohexyl-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-benzooxazol-5-yl}-benzamide; 2-aminobenzoxazoles or 2-aminobenzothiazoles ELI LILLY AND COMPANY (US) 2010-11-23 US disclosed
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US disclosed
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 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-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R MAPT 1507/4885MCHR1 1/4885TP53 4472/4885

“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.