SCHEMBL683773

SCHEMBL683773

CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc(-c2nnn[nH]2)cc1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.75
ABCC3 O15438 1/20 0.73
ABCC2 Q92887 1/20 0.73

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
SCHEMBL6971701 0.90 AGTR1 (0.71) AGTR1ABCC3ABCC2
SCHEMBL6971686 0.90 AGTR1 (0.71) AGTR1ABCC3ABCC2
SCHEMBL9425862 0.89 AGTR1 (0.61) AGTR1ABCC3ABCC2
SCHEMBL9425847 0.89 AGTR1 (0.61) AGTR1ABCC3ABCC2
SCHEMBL7277799 0.88 AGTR1 (0.90) AGTR1ABCC3ABCC2
SCHEMBL7277792 0.88 AGTR1 (0.90) AGTR1ABCC3ABCC2
SCHEMBL7054518 0.87 AGTR1 (0.55) AGTR1ABCC3ABCC2
SCHEMBL7054534 0.87 AGTR1 (0.55) AGTR1ABCC3ABCC2
SCHEMBL7054525 0.87 AGTR1 (0.55) AGTR1ABCC3ABCC2
SCHEMBL16624683 0.85 AGTR1 (0.88) AGTR1ABCC3ABCC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 US disclosed
EP-0955294-B1 Imidazolyl-alkenoic acid SMITHKLINE BEECHAM CORP (US) 2003-09-24 EP disclosed
EP-0955294-A2 Imidazolyl-alkenoic acid SMITHKLINE BEECHAM CORPORATION (US) 1999-11-10 EP disclosed
US-5418250-A Hypotensive SMITHKLINE BEECHAM CORPORATION (US) 1995-05-23 US 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-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS GAP43, GABRB1, GABRB3 AGTR1 3252/4885ABCC3 4557/4885ABCC2 4612/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF AGTR1 8/4885ABCC3 4229/4885ABCC2 4550/4885

“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.