SCHEMBL403822

SCHEMBL403822

CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(NC(=O)c3cccnc3)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
RAB9A P51151 4/20 0.62
NPC1 O15118 3/20 0.62
ALDH1A1 P00352 6/20 0.57
KDM4E B2RXH2 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 2/20 0.55
ADORA3 P0DMS8 1/20 0.55
ADORA2A P29274 1/20 0.55
ADORA2B P29275 1/20 0.55
ADORA1 P30542 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 1/20 0.53
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL402828 0.90 TSHR (0.62) TSHRRAB9ANPC1ALDH1A1KDM4E
SCHEMBL10238306 0.88 MAPT (0.65) RAB9ANPC1ALDH1A1ADORA3ADORA2A
SCHEMBL398150 0.87 TSHR (0.66) TSHRRAB9ANPC1ALDH1A1KDM4E
SCHEMBL4965181 0.87 TSHR (0.71) TSHRRAB9ANPC1ALDH1A1KDM4E
SCHEMBL5897778 0.82 TSHR (0.65) TSHRRAB9ANPC1ALDH1A1KDM4E
SCHEMBL15095262 0.78 MAPT (0.69) RAB9AALDH1A1GAAMEN1KMT2A
SCHEMBL2854355 0.78 BRAF (0.69) TSHRRAB9AALDH1A1L3MBTL1LMNA
SCHEMBL27903120 0.78 RAB9A (1.00) TSHRRAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL14426548 0.77 RAB9A (0.78) TSHRRAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL15683903 0.76 TSHR (0.57) TSHRRAB9ANPC1ALDH1A1KDM4E

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
EP-1957461-B1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH INC (US) 2016-11-02 EP 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
EP-1957461-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING Genentech, Inc. (US) 2008-08-20 EP 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 926/4885RAB9A 240/4885NPC1 2248/4885

“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.