SCHEMBL1397668

SCHEMBL1397668

COC(=O)Nc1cc(F)c(Cl)cc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
TAS1R2 Q8TE23 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.38
HTT P42858 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
ALPL P05186 1/20 0.36

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
SCHEMBL3932786 0.94 HPGD (0.41) HPGDTAS1R3TAS1R1TAS1R2POLB
SCHEMBL3936374 0.86 HPGD (0.46) HPGDSMN1; SMN2MAPTNPC1HTT
SCHEMBL3927038 0.82 HPGD (0.46) HPGDSMN1; SMN2MAPTNPC1HTT
SCHEMBL3924432 0.81 NPC1 (0.42) HPGDSMN1; SMN2NPC1HTTRAB9A
SCHEMBL3935331 0.81 HTT (0.42) HPGDTAS1R3TAS1R1TAS1R2POLB
SCHEMBL406036 0.77 MRGPRX4 (0.39) HPGDTAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL13968706 0.77 HPGD (0.38) HPGDTAS1R3TAS1R1TAS1R2POLB
SCHEMBL4043920 0.75 CFTR (0.41) HPGDSMN1; SMN2MAPTHTTRAB9A
SCHEMBL22279549 0.73 HPGD (0.50) HPGDSMN1; SMN2MAPTNPC1HTT
SCHEMBL3389023 0.73 HPGD (0.35) HPGDTAS1R3TAS1R1TAS1R2POLB

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 HPGD 1992/4885TAS1R3 1240/4885TAS1R1 782/4885
US-20090012311-A1 PROCESS FOR THE PREPARATION OF INDOLE DERIVATIVES IDO1, IDO2, TPH1 HPGD 158/4885TAS1R3 4301/4885TAS1R1 3883/4885
US-20070185113-A1 Heteroaryl and benzyl amide compounds CYP2C19, CYP2C9, CYP3A43 HPGD 1085/4885TAS1R3 3841/4885TAS1R1 3965/4885
US-20070185182-A1 Heteroaryl carboxamide compounds ABCB1, ABCG2, CYP3A43 HPGD 1307/4885TAS1R3 2963/4885TAS1R1 3086/4885

“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.