SCHEMBL7039775

SCHEMBL7039775

Cn1cc(N(C=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1C(=O)NCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.42
BRD4 O60885 1/20 0.42
PPARG P37231 1/20 0.41
MTTP P55157 8/20 0.41
LSS P48449 1/20 0.40
AR P10275 1/20 0.40
AKR1C3 P42330 1/20 0.40
DRD2 P14416 2/20 0.39
TACR1 P25103 2/20 0.39
KDM1A O60341 1/20 0.39
MAPK14 Q16539 1/20 0.39
NAMPT P43490 1/20 0.38
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL7037179 0.95 PPARG (0.45) HDAC1BRD4PPARGMTTPLSS
SCHEMBL7041100 0.94 GSK3B (0.46) HDAC1BRD4PPARGMTTPAR
SCHEMBL7036335 0.94 HDAC1 (0.41) HDAC1BRD4PPARGMTTPLSS
SCHEMBL7038419 0.89 MAPT (0.46) DRD2NAMPT
SCHEMBL7039862 0.89 LMNA (0.43) HDAC1BRD4PPARGAKR1C3
SCHEMBL7039279 0.88 HDAC1 (0.38) HDAC1BRD4PPARGMTTPAKR1C3
SCHEMBL7041745 0.87 KMT2A (0.46) PPARGMTTP
SCHEMBL7035890 0.87 MAPK14 (0.39) HDAC1BRD4PPARGMTTPAR
SCHEMBL7039753 0.85 AR (0.42) MTTPARTACR1
SCHEMBL7039289 0.84 HDAC8 (0.39) HDAC1ARTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162788-A1 Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-08-28 US 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-20030162788-A1 Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals APOB, LIPC, MTPN HDAC1 1512/4885BRD4 1681/4885PPARG 48/4885

“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.