SCHEMBL4812822

SCHEMBL4812822

NC(=O)c1ccccc1OCc1cc(F)ccc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
HTT P42858 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
PARP1 P09874 5/20 0.53
AKR1C1 Q04828 1/20 0.53
MAPK14 Q16539 1/20 0.49
PARP10 Q53GL7 2/20 0.48
RAB9A P51151 2/20 0.48
POLB P06746 1/20 0.48
PARP15 Q460N3 1/20 0.48
PARP14 Q460N5 1/20 0.48
MAPT P10636 2/20 0.46
PARP2 Q9UGN5 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NR1I2 O75469 1/20 0.45
CHRM2 P08172 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADRA2A P08913 1/20 0.45

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
SCHEMBL6983631 0.84 ALDH1A1 (0.75) LMNAHTTALDH1A1MEN1KMT2A
SCHEMBL4812827 0.79 APP (0.44) LMNAHTTALDH1A1MAPK14RAB9A
SCHEMBL27817675 0.79 MEN1 (0.65) LMNAHTTALDH1A1MEN1KMT2A
SCHEMBL6243462 0.78 ALDH1A1 (0.54) HTTALDH1A1MAPK14
SCHEMBL4810503 0.77 ALDH1A1 (0.53) LMNAHTTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL4809393 0.77 APP (0.43) LMNAHTTALDH1A1MAPK14RAB9A
SCHEMBL29037153 0.75 GRM5 (0.42) ALDH1A1PARP10POLB
SCHEMBL14879637 0.74 HTT (0.68) LMNAHTTALDH1A1MEN1KMT2A
SCHEMBL30802732 0.74 LMNA (0.59) LMNAHTTMEN1KMT2APARP1
SCHEMBL5839068 0.73 ALDH1A1 (0.58) LMNAHTTALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110742-A1 Dihydrodiaryloxazepine derivative and pharmaceutical composition containing the same AJINOMOTO CO., INC. (JP) 2004-06-10 US claimed
EP-1403258-A1 DIHYDRODIARYLOXAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THE DERIVATIVE Ajinomoto Co., Inc. (JP) 2004-03-31 EP claimed
US-7320973-B2 Dihydrodiaryloxazepine derivative and pharmaceutical composition containing the same AJINOMOTO CO., INC. (JP) 2008-01-22 US disclosed
US-20040110742-A1 Dihydrodiaryloxazepine derivative and pharmaceutical composition containing the same AJINOMOTO CO., INC. (JP) 2004-06-10 US disclosed
EP-1403258-A1 DIHYDRODIARYLOXAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THE DERIVATIVE Ajinomoto Co., Inc. (JP) 2004-03-31 EP 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-20040110742-A1 Dihydrodiaryloxazepine derivative and pharmaceutical composition containing the same CYP3A4, PPARD, CYP4B1 LMNA 3263/4885HTT 1543/4885ALDH1A1 276/4885

“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.