SCHEMBL1397401

SCHEMBL1397401

COC(=O)Nc1ccc(Cl)c(F)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
HTT P42858 2/20 0.50
SLC2A1 P11166 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
IDO1 P14902 1/20 0.48
MAOB P27338 1/20 0.48
KCNQ3 O43525 1/20 0.48
KCNQ2 O43526 1/20 0.48
KCNE1 P15382 1/20 0.48
KCNQ1 P51787 1/20 0.48
MAPK1 P28482 1/20 0.48
TSHR P16473 1/20 0.47
AR P10275 1/20 0.47
AGPAT2 O15120 1/20 0.47

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
SCHEMBL3930649 0.86 MAPT (0.66) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL1503985 0.85 NPC1 (0.49) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL12228592 0.84 AR (0.49) MAPTHTTSLC2A1IDO1MAOB
SCHEMBL22162905 0.84 HPGD (0.60) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL29666354 0.84 AR (0.49) MAPTHTTSLC2A1IDO1MAOB
SCHEMBL4894719 0.84 EPHX1 (0.66) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL3931721 0.84 HPGD (0.57) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL116096 0.84 EPHX1 (0.66) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL30623277 0.82 IDO1 (0.65) MAPTSMN1; SMN2SLC2A1MEN1KMT2A
SCHEMBL17601523 0.82 IDO1 (0.65) MAPTSMN1; SMN2SLC2A1MEN1KMT2A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007726-B1 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-02 EP disclosed
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-7674815-B2 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-09 US disclosed
US-7572823-B2 Heteroaryl carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
WO-2009007259-A1 PROCESS FOR THE PREPARATION OF AN INDOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2009-01-15 WO disclosed
WO-2009007259-A1 PROCESS FOR THE PREPARATION OF AN INDOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2009-01-15 WO disclosed
US-20090012311-A1 PROCESS FOR THE PREPARATION OF INDOLE DERIVATIVES F. HOFFMAN-LA ROCHE AG (CH) 2009-01-08 US disclosed
US-20090012311-A1 PROCESS FOR THE PREPARATION OF INDOLE DERIVATIVES F. HOFFMAN-LA ROCHE AG (CH) 2009-01-08 US disclosed
US-20090012311-A1 PROCESS FOR THE PREPARATION OF INDOLE DERIVATIVES F. HOFFMAN-LA ROCHE AG (CH) 2009-01-08 US disclosed
EP-2011783-A1 Process for the preparation of an indole derivative F. HOFFMANN-LA ROCHE AG (CH) 2009-01-07 EP disclosed
EP-2007726-A2 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-12-31 EP 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
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
WO-2007090749-A2 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO 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
US-20070185113-A1 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. 2007-08-09 US disclosed
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 EP disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 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 (4 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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP MAPT 1559/4885SMN1; SMN2 4629/4885NPC1 6/4885
US-20090012311-A1 PROCESS FOR THE PREPARATION OF INDOLE DERIVATIVES IDO1, IDO2, TPH1 MAPT 1926/4885SMN1; SMN2 4188/4885NPC1 2444/4885
US-20070185113-A1 Heteroaryl and benzyl amide compounds CYP2C19, CYP2C9, CYP3A43 MAPT 2114/4885SMN1; SMN2 3117/4885NPC1 115/4885
US-20070185182-A1 Heteroaryl carboxamide compounds ABCB1, ABCG2, CYP3A43 MAPT 1528/4885SMN1; SMN2 3878/4885NPC1 29/4885

“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.