SCHEMBL3390682

SCHEMBL3390682

C[Si](C)(C)c1ccc(C(=O)NCCc2ccc(F)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.67
RAB9A P51151 7/20 0.67
MCHR1 Q99705 2/20 0.62
SMN1; SMN2 Q16637 3/20 0.61
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
ALDH1A1 P00352 2/20 0.57
LMNA P02545 1/20 0.57
THRB P10828 1/20 0.57
NAMPT P43490 1/20 0.55
MAPT P10636 1/20 0.55

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
SCHEMBL3387161 0.86 NPC1 (0.69) NPC1RAB9AMCHR1SMN1; SMN2MEN1
SCHEMBL3062428 0.82 NPC1 (0.70) NPC1RAB9AMCHR1SMN1; SMN2MEN1
SCHEMBL22777679 0.82 NPC1 (0.74) NPC1RAB9AMCHR1SMN1; SMN2MEN1
SCHEMBL2987921 0.81 NPC1 (0.75) NPC1RAB9AMCHR1SMN1; SMN2MEN1
SCHEMBL7702108 0.80 RAB9A (1.00) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2332195 0.80 RAB9A (0.88) NPC1RAB9AMCHR1SMN1; SMN2ALDH1A1
SCHEMBL3241236 0.80 NPC1 (0.67) NPC1RAB9AMCHR1SMN1; SMN2MEN1
SCHEMBL3241452 0.80 RAB9A (0.68) NPC1RAB9AMCHR1SMN1; SMN2MEN1
SCHEMBL3573066 0.80 NPC1 (0.67) NPC1RAB9AMCHR1SMN1; SMN2MEN1
SCHEMBL3391330 0.80 TRPV1 (0.65) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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-1984002-B1 TRIALKYLSILYLBENZYLAMINOCARBOXYINDOLES, INDAZOLES AND INDOLINES AND THEIR USE IN TREATING CETP-MEDIATED DISORDERS HOFFMANN LA ROCHE (CH) 2010-12-22 EP disclosed
US-7572823-B2 Heteroaryl carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
EP-1984002-A1 TRIALKYLSILYLBENZYLAMINOCARBOXYINDOLES, INDAZOLES AND INDOLINES AND THEIR USE IN TREATING CETP-MEDIATED DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-29 EP disclosed
WO-2007090750-A1 TRIALKYLSILYLBENZYLAMINOCARBOXYINDOLES, INDAZOLES AND INDOLINES AND THEIR USE IN TREATING CETP-MEDIATED DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
US-20070185182-A1 Heteroaryl carboxamide compounds HOFFMAN-LA ROCHE INC. 2007-08-09 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-20070185182-A1 Heteroaryl carboxamide compounds ABCB1, ABCG2, CYP3A43 NPC1 29/4885RAB9A 1950/4885MCHR1 3761/4885

“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.