SCHEMBL5176258

SCHEMBL5176258

CC(C)(C)c1ccc(CNCC(O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
ANPEP P15144 1/20 0.50
ERAP2 Q6P179 1/20 0.50
BCHE P06276 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 3/20 0.48
DNM1 Q05193 1/20 0.47
PLA2G1B P04054 1/20 0.47
POLB P06746 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
ADRB2 P07550 2/20 0.45
BACE1 P56817 2/20 0.44
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
RAB9A P51151 1/20 0.43
XBP1 P17861 1/20 0.42

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
SCHEMBL5176010 1.00 GAA (0.52) GAAMEN1KMT2ACYP1A2CYP2C19
SCHEMBL5176406 1.00 GAA (0.52) GAAMEN1KMT2ACYP1A2CYP2C19
SCHEMBL5176867 0.86 ANPEP (0.50) MEN1KMT2ACYP2C19ANPEPERAP2
SCHEMBL5178064 0.85 LMNA (0.66) MEN1KMT2AANPEPERAP2BCHE
SCHEMBL5176335 0.85 PLA2G1B (0.56) ANPEPERAP2BCHEDNM1PLA2G1B
SCHEMBL5175449 0.84 MEN1 (0.50) GAAMEN1KMT2ACYP1A2CYP2C19
SCHEMBL5175249 0.83 MEN1 (0.49) GAAMEN1KMT2ACYP1A2CYP2C19
SCHEMBL28896863 0.82 MEN1 (0.49) MEN1KMT2ACYP1A2CYP2C19SMN1; SMN2
SCHEMBL3959831 0.81 MEN1 (0.63) GAAMEN1KMT2ACYP1A2CYP2C19
SCHEMBL14646432 0.80 LMNA (0.68) GAAMEN1KMT2ALMNADNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP GAA 1577/4885MEN1 2604/4885KMT2A 3176/4885

“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.