SCHEMBL3748775

SCHEMBL3748775

COc1ccc(-c2cnc(C(=O)O)cn2)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ HSP90AB1 P08238 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ EIF4E P06730 2/20 0.43
▸ MARS1 P56192 1/20 0.42
▸ KMO O15229 3/20 0.42
▸ P4HTM Q9NXG6 2/20 0.42
▸ CDC7 O00311 1/20 0.41
▸ CCNT1 O60563 1/20 0.41
▸ CSNK2A2 P19784 1/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CSNK1A1 P48729 1/20 0.41
▸ CSNK1D P48730 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ CSNK2B P67870 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ DBF4 Q9UBU7 1/20 0.41
▸ GCGR P47871 1/20 0.41

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
SCHEMBL3747046 0.81 ALPL (0.52) SMN1; SMN2MARS1KMOALPLKDM4E
SCHEMBL4056620 0.81 LIMK1 (0.45) PDE10ASMN1; SMN2EIF4EKMOP4HTM
SCHEMBL5934219 0.75 ALPL (0.49) SMN1; SMN2KMOP4HTMALPLKDM4E
SCHEMBL5550513 0.73 SIRT6 (0.48) SMN1; SMN2P4HTMALPLALDH1A1MAPT
SCHEMBL287134 0.72 P4HTM (0.60) P4HTMCSNK2A2CSNK2A1KDM4EASPH
SCHEMBL22986363 0.72 KDM4E (0.49) HSP90AA1HSP90AB1SMN1; SMN2EIF4ECDC7
SCHEMBL29787987 0.71 ATR (0.49) P4HTMKDM4EASPHKDM8ALDH1A1
SCHEMBL2040123 0.71 ATR (0.49) P4HTMKDM4EASPHKDM8ALDH1A1
SCHEMBL24994335 0.71 SCN2A (0.47) HSP90AA1HSP90AB1EIF4ECDC7CCNT1
SCHEMBL16011699 0.71 P4HTM (0.59) P4HTMCSNK2A2CSNK2A1KDM4EASPH

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-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
EP-1828177-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 — — EP disclosed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 — — WO 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 PDE10A 1625/4885HSP90AA1 3082/4885HSP90AB1 3350/4885

“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.

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