SCHEMBL13628642

SCHEMBL13628642

CS(=O)(=O)c1ccc(I)c(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP28 Q96RU2 8/20 0.80
ALB P02768 1/20 0.80
HTR1A P08908 1/20 0.80
SLC6A2 P23975 1/20 0.80
PDE4A P27815 1/20 0.80
OPRM1 P35372 1/20 0.80
DRD3 P35462 1/20 0.80
HTR2B P41595 1/20 0.80
SLC6A3 Q01959 1/20 0.80
PDE4D Q08499 1/20 0.80
SHH Q15465 1/20 0.80
SLC29A1 Q99808 1/20 0.80
SMO Q99835 1/20 0.80
ABCG2 Q9UNQ0 1/20 0.80

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
SCHEMBL1014723 0.92 USP28 (0.83) USP28ALBHTR1ASLC6A2PDE4A
SCHEMBL2619582 0.92 USP28 (0.74) USP28ALBHTR1ASLC6A2PDE4A
SCHEMBL1017281 0.92 USP28 (0.86) USP28ALBHTR1ASLC6A2PDE4A
Vismodegib SCHEMBL29363748 0.89 USP28 (1.00) USP28ALBHTR1ASLC6A2PDE4A
Vismodegib SCHEMBL29394718 0.89 USP28 (1.00) USP28ALBHTR1ASLC6A2PDE4A
Vismodegib SCHEMBL302587 0.89 USP28 (1.00) USP28ALBHTR1ASLC6A2PDE4A
Vismodegib SCHEMBL29352323 0.89 USP28 (1.00) USP28ALBHTR1ASLC6A2PDE4A
SCHEMBL13628634 0.88 USP28 (0.83) USP28ALBHTR1ASLC6A2PDE4A
Vismodegib SCHEMBL17242073 0.88 USP28 (0.98) USP28ALBHTR1ASLC6A2PDE4A
Vismodegib SCHEMBL1017957 0.88 USP28 (0.98) USP28ALBHTR1ASLC6A2PDE4A

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 USP28 3306/4885ALB 4881/4885HTR1A 1322/4885

“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.