SCHEMBL643993

SCHEMBL643993

Nc1ccccc1-c1ccccc1C=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
LMNA P02545 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
BLM P54132 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.43
TRIM24 O15164 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
XDH P47989 1/20 0.42
KCNN4 O15554 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL29163117 0.85 MEN1 (0.46) ALDH1A1L3MBTL1LMNAKMT2AMEN1
SCHEMBL249552 0.85 KMT2A (0.71) ALDH1A1LMNAKMT2AMEN1THRB
SCHEMBL31175932 0.85 KMT2A (0.71) ALDH1A1LMNAKMT2AMEN1THRB
SCHEMBL27511393 0.83 KMT2A (0.67) ALDH1A1LMNAKMT2AMEN1THRB
SCHEMBL31588841 0.83 KMT2A (0.67) ALDH1A1LMNAKMT2AMEN1THRB
SCHEMBL18605410 0.82 MEN1 (0.43) ALDH1A1L3MBTL1LMNAKMT2AMEN1
SCHEMBL6571919 0.82 ALDH1A1 (0.46) ALDH1A1L3MBTL1LMNAKMT2AMEN1
SCHEMBL3880759 0.81 ADORA2A (0.47) ALDH1A1L3MBTL1LMNAKMT2AMEN1
SCHEMBL29365160 0.80
SCHEMBL29776700 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103224436-B The preparation method of the amino diaryl ketone compound of a kind of neighbour WENZHOU UNIVERSITY (CN) 2015-09-02 CN disclosed
US-8119630-B2 Benzodiazepine derivatives and pharmaceutical compositions containing them ARROW THERAPEUTICS LIMITED (GB) 2012-02-21 US disclosed
CN-1694874-B Benzodiazepine derivatives and pharmaceutical compositions containing them ARROW THERAPEUTICS LTD 2010-06-09 CN disclosed
US-20100015063-A1 Benzodiazepine Derivatives and Pharmaceutical Compositions Containing Them ARROW THERAPEUTICS LIMITED (GB) 2010-01-21 US disclosed
US-7582624-B2 Benzodiazepine derivatives and pharmaceutical compositions containing them ARROW THERAPEUTICS LIMITED (GB) 2009-09-01 US disclosed
US-20060040923-A1 Benzodiazepine derivatives and pharmaceutical compositions containing them ARROW THERAPEUTICS LIMITED (GB) 2006-02-23 US disclosed
CN-1694874-A Benzodiazepine * derivatives and pharmaceutical compositions containing them ARROW THERAPEUTICS LTD (GB) 2005-11-09 CN disclosed
EP-1539716-A1 BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Arrow Therapeutics Limited (GB) 2005-06-15 EP disclosed
CN-1195757-C Optically pure camptothecin analogues SOD CONSEILS RECH APPLIC (FR) 2005-04-06 CN disclosed
WO-2004026843-A1 BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ARROW THERAPEUTICS LIMITED (GB) 2004-04-01 WO disclosed
CN-1345321-A Optically pure camptothecin analogs SOD CONSEILS RECH APPLIC (FR) 2002-04-17 CN disclosed
WO-2000014073-A1 BENZODIAZEPINONE DERIVATIVES, PREPARATION METHOD AND INTERMEDIATES THEREFOR, USE AS MEDICINES AND COMPOSITIONS HOECHST MARION ROUSSEL (FR) 2000-03-16 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 (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-20060040923-A1 Benzodiazepine derivatives and pharmaceutical compositions containing them GABRA6, CNR1, SIGMAR1 ALDH1A1 2127/4885L3MBTL1 2764/4885LMNA 1425/4885
US-20100015063-A1 Benzodiazepine Derivatives and Pharmaceutical Compositions Containing Them GABRA6, CNR1, SIGMAR1 ALDH1A1 1931/4885L3MBTL1 2763/4885LMNA 1262/4885

“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.