SCHEMBL4910933

SCHEMBL4910933

CC(=O)N(C)c1cc(C)ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.43
ALDH1A1 P00352 6/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TSPO P30536 1/20 0.37
MAPT P10636 4/20 0.36
HPGD P15428 1/20 0.36
CYP2A6 P11509 1/20 0.34
NPC1 O15118 3/20 0.34
POLB P06746 1/20 0.34
C5AR1 P21730 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
CSNK2A1 P68400 1/20 0.32

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
SCHEMBL26032149 0.81 POLB (0.48) FSCN1ALDH1A1RAB9ASMN1; SMN2TSPO
SCHEMBL27492999 0.80 CSNK2A1 (0.35) ALDH1A1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL4914346 0.79 FSCN1 (0.41) FSCN1ALDH1A1RAB9ASMN1; SMN2TSPO
SCHEMBL14098357 0.78 FSCN1 (0.43) FSCN1ALDH1A1RAB9ASMN1; SMN2TSPO
SCHEMBL20708217 0.78 FSCN1 (0.56) FSCN1ALDH1A1RAB9ASMN1; SMN2TSPO
SCHEMBL13043265 0.77 FSCN1 (0.50) FSCN1ALDH1A1RAB9ASMN1; SMN2TSPO
SCHEMBL23589251 0.76 ALDH1A1 (0.39) ALDH1A1RAB9ASMN1; SMN2MAPTCYP2A6
SCHEMBL28678688 0.75 ALDH1A1 (0.53) FSCN1ALDH1A1SMN1; SMN2TSPOMAPT
SCHEMBL28602783 0.75 KMT2A (0.47) ALDH1A1RAB9ASMN1; SMN2TSPOMAPT
SCHEMBL9062523 0.75 TSPO (0.51) FSCN1ALDH1A1SMN1; SMN2TSPOMAPT

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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
EP-1820799-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION Wakamoto Pharmaceutical Co., Ltd. (JP) 2007-08-22 EP disclosed
CN-1089944-A The N-Benzanilide derivatives GLAXO GROUP LTD (GB) 1994-07-27 CN disclosed
CN-1071922-A The N-Benzanilide derivatives GLAXO GROUP LTD (GB) 1993-05-12 CN 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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 FSCN1 3822/4885ALDH1A1 492/4885RAB9A 1620/4885

“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.