SCHEMBL3747046

SCHEMBL3747046

O=C(O)c1cnc(-c2ccc(Cl)cc2Cl)cn1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 2/20 0.52
▸ KMO O15229 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ DHODH Q02127 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ CRHBP P24387 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45
▸ MARS1 P56192 8/20 0.45
▸ SRD5A2 P31213 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CASP1 P29466 1/20 0.43

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
SCHEMBL3748775 0.81 PDE10A (0.46) ALPLKMOSMN1; SMN2KDM4EMARS1
SCHEMBL5934219 0.81 ALPL (0.49) ALPLKMOSMN1; SMN2DHODHKDM4E
SCHEMBL4781819 0.79 MAP4K4 (0.59) MARS1SRD5A2
SCHEMBL27905615 0.77 KMO (0.58) ALPLKMOSMN1; SMN2KDM4ENPC1
SCHEMBL17144290 0.75 PTGER1 (0.54) ALPLSMN1; SMN2DHODHKDM4ENPC1
SCHEMBL4476354 0.73 HSP90AA1 (0.51) KDM4ENPC1RAB9AALDH1A1
SCHEMBL4469279 0.73 HSP90AA1 (0.44) ALPLSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL4463174 0.73 CNR1 (0.64) MARS1SRD5A2
SCHEMBL4453192 0.73 CNR1 (0.64) MARS1SRD5A2
SCHEMBL14988294 0.71 PIK3CA (0.55) KDM4ENPC1RAB9AALDH1A1TSHR

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 ALPL 4790/4885KMO 615/4885SMN1; SMN2 2294/4885

“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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