SCHEMBL7038418

SCHEMBL7038418

Cn1cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1C(=O)NCc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
HTT P42858 1/20 0.54
SORT1 Q99523 1/20 0.49
MTTP P55157 6/20 0.48
APOB P04114 2/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.46
METAP2 P50579 1/20 0.45
NAMPT P43490 1/20 0.45
SMO Q99835 1/20 0.45
HIF1A Q16665 2/20 0.45
EPAS1 Q99814 2/20 0.45
BTK Q06187 1/20 0.44

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
SCHEMBL7041114 0.93 HTT (0.47) KMT2AHTTMTTPAPOBMAPT
SCHEMBL7041096 0.91 MTTP (0.51) SORT1MTTPAPOBSMO
SCHEMBL7043296 0.90 MTTP (0.57) MTTPAPOB
SCHEMBL7041370 0.90 MTTP (0.49) MTTPAPOBSMO
SCHEMBL7039772 0.89 MTTP (0.53) MTTPAPOB
SCHEMBL7035895 0.86 MTTP (0.51) MTTPAPOB
SCHEMBL7035884 0.86 MTTP (0.51) MTTPAPOB
SCHEMBL7040053 0.86 TRPV1 (0.50) MTTPAPOBSMO
SCHEMBL7039276 0.85 MTTP (0.44) MTTPAPOBSMO
SCHEMBL7043268 0.85 MTTP (0.50) MTTPAPOB

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 2 patents. 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
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-17 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 (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-20030162788-A1 Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals APOB, LIPC, MTPN KMT2A 4321/4885HTT 1297/4885SORT1 519/4885
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions MTTP, CETP, CES1 KMT2A 2209/4885HTT 1259/4885SORT1 1554/4885

“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.