SCHEMBL13628800

SCHEMBL13628800

CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(I)c(-c3ccccn3)c2)cc1OCCN1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.47
HTR2C P28335 4/20 0.47
MCHR1 Q99705 5/20 0.47
ASF1A Q9Y294 1/20 0.44
KDR P35968 3/20 0.43
KCNH2 Q12809 2/20 0.42

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
SCHEMBL2619410 0.99 MCHR1 (0.47) HTR2AHTR2CMCHR1ASF1AKDR
SCHEMBL2619524 0.93 HTR2A (0.53) HTR2AHTR2CMCHR1KCNH2
SCHEMBL10287580 0.93 HTR2A (0.51) HTR2AHTR2CKDRKCNH2
SCHEMBL12214766 0.93 HTR2A (0.51) HTR2AHTR2CMCHR1KCNH2
SCHEMBL1017067 0.91 KDR (0.49) HTR2AHTR2CMCHR1ASF1AKDR
SCHEMBL1018146 0.90 KDR (0.48) HTR2AHTR2CMCHR1KDR
SCHEMBL10287582 0.90 HTR2A (0.42) HTR2AHTR2CKCNH2
SCHEMBL12727325 0.89 HTR2A (0.51) HTR2AHTR2CMCHR1KCNH2
SCHEMBL1071057 0.88 KDR (0.46) HTR2AHTR2CMCHR1ASF1AKDR
SCHEMBL12727319 0.86 MAPT (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-11-12 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-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO HTR2A 2634/4885HTR2C 2473/4885MCHR1 329/4885

“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.