SCHEMBL4188744

SCHEMBL4188744

Cc1csc2c1CCOC2=O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
CDK2 P24941 1/20 0.30

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
SCHEMBL2729715 0.81 NUAK1 (0.35)
SCHEMBL4192898 0.78 MAOA (0.33) MAOAMAOBALDH1A1LMNATP53
SCHEMBL14502277 0.71 ALDH1A1 (0.36) ALDH1A1LMNA
SCHEMBL4195370 0.66 MAOA (0.36) MAOAMAOBALDH1A1LMNATP53
SCHEMBL29112927 0.64 MAOA (0.53) MAOAMAOBALDH1A1TP53CDK2
SCHEMBL10561561 0.63 CDK2 (0.35) MAOAMAOBALDH1A1LMNATP53
SCHEMBL4195726 0.62 MAOA (0.36) MAOAMAOBALDH1A1TP53CDK2
SCHEMBL4196242 0.62 MAP3K14 (0.48) ALDH1A1LMNATP53TSHR
SCHEMBL21152989 0.62 CLK4 (0.35)
SCHEMBL18723893 0.62 LIMK1 (0.35)

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-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-11-29 US disclosed
US-8263772-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-09-11 US disclosed
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-04-09 US disclosed
EP-2029609-A2 NOVEL MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-03-04 EP disclosed
WO-2007146758-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 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 (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-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R MAOA 1058/4885MAOB 803/4885ALDH1A1 1473/4885
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R MAOA 960/4885MAOB 832/4885ALDH1A1 1267/4885

“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.