SCHEMBL2083801

SCHEMBL2083801

O=C(O)c1ccc(-c2ccc(O)cc2)s1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.72
POLB P06746 1/20 0.72
RAB9A P51151 1/20 0.72
KMT2A Q03164 1/20 0.72
HPGDS O60760 1/20 0.69
ESR1 P03372 3/20 0.61
ESR2 Q92731 2/20 0.61
APP P05067 2/20 0.61
ESRRG P62508 6/20 0.61
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
GAA P10253 1/20 0.61
HSD17B1 P14061 4/20 0.58
HSD17B2 P37059 4/20 0.58
NR4A2 P43354 1/20 0.58
MKNK1 Q9BUB5 1/20 0.54
MKNK2 Q9HBH9 1/20 0.54

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
SCHEMBL14156943 0.96 MEN1 (0.68) MEN1POLBRAB9AKMT2AHPGDS
SCHEMBL14156930 0.87 HPGDS (0.59) MEN1POLBRAB9AKMT2AHPGDS
SCHEMBL10963422 0.84 RAB9A (0.72) MEN1POLBRAB9AKMT2AHPGDS
SCHEMBL2491267 0.84 RAB9A (1.00) MEN1POLBRAB9AKMT2AHPGDS
SCHEMBL422509 0.84 RAB9A (0.72) MEN1POLBRAB9AKMT2AHPGDS
SCHEMBL29906336 0.84 RAB9A (0.79) MEN1POLBRAB9AKMT2AHPGDS
SCHEMBL1761545 0.83 RAB9A (0.92) MEN1POLBRAB9AKMT2AHPGDS
SCHEMBL24573243 0.83 HPGDS (0.67) MEN1POLBRAB9AKMT2AHPGDS
SCHEMBL4711536 0.82 RAB9A (0.70) MEN1POLBRAB9AKMT2AHPGDS
SCHEMBL1144473 0.82 IKBKB (0.71) MEN1POLBRAB9AKMT2AHPGDS

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
US-7863302-B2 Compounds and methods for modulating FX-receptors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
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
US-20080306125-A1 Compounds and Methods for Modulating Fx-Receptors JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2008-12-11 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 (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-20080306125-A1 Compounds and Methods for Modulating Fx-Receptors F2R, TBXA2R, PTAFR MEN1 3511/4885POLB 4399/4885RAB9A 2636/4885
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R MEN1 550/4885POLB 4496/4885RAB9A 1154/4885

“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.