SCHEMBL10238342

SCHEMBL10238342

CCN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4cccnc4)c3)cn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
SMO Q99835 1/20 0.56
ALDH1A1 P00352 5/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
CHRM1 P11229 5/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAPT P10636 5/20 0.54
LMNA P02545 3/20 0.54
KDM4E B2RXH2 3/20 0.53
REV1 Q9UBZ9 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HTT P42858 1/20 0.52
CHRM2 P08172 1/20 0.52
CHRM4 P08173 1/20 0.52
CHRM5 P08912 1/20 0.52
HSD17B10 Q99714 1/20 0.51
MAPK1 P28482 1/20 0.49

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
SCHEMBL404119 0.92 CHRM1 (0.66) TSHRSMOALDH1A1SMN1; SMN2CHRM1
SCHEMBL402516 0.90 SMO (0.70) TSHRSMOALDH1A1SMN1; SMN2CHRM1
SCHEMBL10238368 0.89 REV1 (0.58) TSHRSMOALDH1A1SMN1; SMN2NPC1
SCHEMBL403404 0.88 CHRM1 (0.56) SMOSMN1; SMN2CHRM1NPC1RAB9A
SCHEMBL10238332 0.86 SMO (0.58) TSHRSMOALDH1A1SMN1; SMN2NPC1
SCHEMBL4975172 0.86 CHRM1 (0.56) SMOALDH1A1SMN1; SMN2CHRM1NPC1
SCHEMBL4967854 0.83 SMO (0.57) SMOALDH1A1SMN1; SMN2CHRM1NPC1
SCHEMBL4969481 0.83 CHRM1 (0.52) SMOSMN1; SMN2CHRM1NPC1RAB9A
SCHEMBL1073909 0.82 CHRM1 (0.55) SMOALDH1A1CHRM1NPC1RAB9A
SCHEMBL10238344 0.82 SMO (0.81) TSHRSMOALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101610-B2 Blocking signals; anticancer agents GENENTECH, INC. (US) 2012-01-24 US disclosed
US-8101610-B2 Blocking signals; anticancer agents GENENTECH, INC. (US) 2012-01-24 US disclosed
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling GENENTECH INC. (US) 2008-10-30 US disclosed
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling GENENTECH INC. (US) 2008-10-30 US disclosed
WO-2007059157-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH, INC. (US) 2007-05-24 WO 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-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling SHH, GLI1, SMO TSHR 926/4885SMO 3/4885ALDH1A1 2103/4885

“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.