SCHEMBL4037474

SCHEMBL4037474

CC(C)(C)c1ccc(CNC(=O)Cc2c(Cl)cccc2Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
HTT P42858 1/20 0.53
EPHX2 P34913 4/20 0.50
NR1H4 Q96RI1 3/20 0.50
LMNA P02545 1/20 0.50
RAB9A P51151 1/20 0.50
P2RX7 Q99572 2/20 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
SCHEMBL5176966 0.86 ERCC1 (0.61) MEN1CYP1A2CYP2C19KMT2AHTT
SCHEMBL5177128 0.84 MEN1 (0.50) MEN1CYP1A2CYP2C19KMT2AHTT
SCHEMBL2854479 0.84 KMT2A (0.61) MEN1CYP2C19KMT2AHTTLMNA
SCHEMBL3942498 0.81 MEN1 (0.71) MEN1CYP1A2CYP2C19KMT2AEPHX2
SCHEMBL3939260 0.81 MEN1 (0.56) MEN1CYP1A2CYP2C19KMT2ALMNA
SCHEMBL3277789 0.81 CA1 (0.56) MEN1CYP1A2CYP2C19KMT2ANR1H4
SCHEMBL3278159 0.80 LMNA (0.68) MEN1KMT2AEPHX2NR1H4LMNA
Hydrochloric Acid SCHEMBL3950177 0.80 CA1 (0.54) MEN1CYP1A2CYP2C19KMT2ANR1H4
SCHEMBL5177806 0.78 ERCC1 (0.64) MEN1CYP1A2CYP2C19KMT2AHTT
SCHEMBL3276784 0.77 MEN1 (0.54) MEN1CYP1A2CYP2C19KMT2ANR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US claimed
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US disclosed
EP-2049493-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL Cadila Healthcare Limited (IN) 2009-04-22 EP disclosed
WO-2008059513-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2008-05-22 WO disclosed
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 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 (2 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 MEN1 2604/4885CYP1A2 156/4885CYP2C19 121/4885
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CETP, APOB, HDLBP MEN1 1778/4885CYP1A2 318/4885CYP2C19 576/4885

“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.