SCHEMBL13552989

SCHEMBL13552989

CC(=O)Nc1cc(Cl)c(NS(=O)(=O)c2ccc(Cl)c(-c3nccc4ccccc34)c2)cn1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.52
▸ HTR2A P28223 1/20 0.52
▸ HTR7 P34969 1/20 0.52
▸ HTR6 P50406 1/20 0.52
▸ PIK3C3 Q8NEB9 8/20 0.45
▸ SCN9A Q15858 8/20 0.44
▸ PIK3CD O00329 1/20 0.44
▸ PIK3CG P48736 1/20 0.44
▸ KMT2A Q03164 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40

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
SCHEMBL13552996 0.91 HTR1A (0.49) HTR1AHTR2AHTR7HTR6SCN9A
SCHEMBL14707491 0.86 HTR1A (0.52) HTR1AHTR2AHTR7HTR6SCN9A
SCHEMBL13552981 0.84 HTR1A (0.54) HTR1AHTR2AHTR7HTR6SCN9A
SCHEMBL13552988 0.83 HTR1A (0.57) HTR1AHTR2AHTR7HTR6SCN9A
SCHEMBL14707508 0.82 HTR1A (0.56) HTR1AHTR2AHTR7HTR6SCN9A
SCHEMBL13552713 0.82 HTR1A (0.51) HTR1AHTR2AHTR7HTR6SCN9A
SCHEMBL13552977 0.81 HTR1A (0.52) HTR1AHTR2AHTR7HTR6PIK3C3
SCHEMBL13552978 0.81 HTR1A (0.52) HTR1AHTR2AHTR7HTR6SCN9A
SCHEMBL13552991 0.81 HTR1A (0.54) HTR1AHTR2AHTR7HTR6SCN9A
SCHEMBL13552931 0.81 HTR1A (0.53) HTR1AHTR2AHTR7HTR6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270858-A1 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-10-25 — — US disclosed
US-20120270858-A1 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-10-25 — — 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 (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-20120270858-A1 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling SHH, GLI1, SMO HTR1A 1574/4885HTR2A 1172/4885HTR7 788/4885

“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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