SCHEMBL5175288

SCHEMBL5175288

CC(C)(C)c1ccc(CNC(=O)Cc2ccncc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.66
GAA P10253 1/20 0.66
MAPT P10636 1/20 0.66
EPHX2 P34913 4/20 0.56
NR1H4 Q96RI1 3/20 0.56
ESRRB O95718 1/20 0.55
ESRRG P62508 1/20 0.55
NPY5R Q15761 2/20 0.53
RAB9A P51151 1/20 0.52

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
SCHEMBL5176812 0.87 P2RX7 (0.57) EPHX2NR1H4ESRRBESRRG
SCHEMBL4027739 0.85 ESRRG (0.74) EPHX2NR1H4ESRRBESRRG
SCHEMBL3271866 0.85 KMT2A (0.68) ALDH1A1EPHX2NR1H4ESRRBESRRG
SCHEMBL3278159 0.85 LMNA (0.68) ALDH1A1GAAMAPTEPHX2NR1H4
SCHEMBL3942498 0.84 MEN1 (0.71) ALDH1A1EPHX2NR1H4ESRRBESRRG
SCHEMBL3273904 0.84 LMNA (0.70) ALDH1A1GAAEPHX2NR1H4ESRRB
SCHEMBL5177433 0.83 ALDH1A1 (0.68) ALDH1A1GAAMAPTRAB9A
Hydrochloric Acid SCHEMBL4026084 0.82 LMNA (0.68) ALDH1A1GAAEPHX2NR1H4ESRRB
SCHEMBL7848467 0.82 EPHX2 (0.70) ALDH1A1MAPTEPHX2NR1H4RAB9A
SCHEMBL12042426 0.82 LMNA (0.72) ALDH1A1MAPTEPHX2NR1H4RAB9A

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 ALDH1A1 2428/4885GAA 1577/4885MAPT 1559/4885

“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.