SCHEMBL13778075

SCHEMBL13778075

C[C@@H](Nc1cc(Cl)nc2ccnn12)c1ccc(Cl)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KCNN3 Q9UGI6 14/20 0.65
▸ PDE10A Q9Y233 2/20 0.48
▸ KCNN1 Q92952 2/20 0.46
▸ KCNN2 Q9H2S1 2/20 0.46
▸ DPP4 P27487 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CRHR1 P34998 1/20 0.40
▸ IDH1 O75874 1/20 0.39

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
SCHEMBL31561493 1.00 KCNN3 (0.65) KCNN3PDE10AKCNN1KCNN2DPP4
SCHEMBL31561520 0.89 KCNN3 (0.63) KCNN3PDE10AKCNN1KCNN2CRHR1
SCHEMBL31561487 0.89 KCNN3 (0.63) KCNN3PDE10AKCNN1KCNN2CRHR1
SCHEMBL31561536 0.88 KCNN3 (0.62) KCNN3PDE10AKCNN1KCNN2CRHR1
SCHEMBL31561491 0.88 KCNN3 (0.62) KCNN3PDE10AKCNN1KCNN2CRHR1
SCHEMBL31561510 0.81 KCNN3 (0.62) KCNN3PDE10AKCNN1KCNN2DPP4
SCHEMBL14158215 0.80 KCNN3 (0.71) KCNN3PDE10AKCNN1KCNN2CRHR1
SCHEMBL31561476 0.80 KCNN3 (0.61) KCNN3PDE10AKCNN1KCNN2CRHR1
SCHEMBL31561509 0.80 MAPK1 (0.41) KCNN3MEN1KMT2ACRHR1IDH1
SCHEMBL19526824 0.77 KCNN3 (0.66) KCNN3PDE10AKCNN1KCNN2CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090182142-A1 Aromatic Compound FURUKUBO SHIGERU 2009-07-16 — — US disclosed
US-20090182142-A1 Aromatic Compound FURUKUBO SHIGERU 2009-07-16 — — US disclosed
EP-1956009-A1 AROMATIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 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 (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-20090182142-A1 Aromatic Compound HRH4, CCR4, HRH3 KCNN3 1013/4885PDE10A 2548/4885KCNN1 1339/4885

“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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