SCHEMBL16658441

SCHEMBL16658441

CCOc1ccc(CSC)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 5/20 0.42
LMNA P02545 4/20 0.42
KMT2A Q03164 4/20 0.41
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL16658438 0.85 MAPT (0.44) MAPTL3MBTL1HPGDTDP1ALDH1A1
SCHEMBL10050063 0.82 ALDH1A1 (0.51) MAPTL3MBTL1HPGDTDP1ALDH1A1
SCHEMBL16650492 0.81 KDM4E (0.40) MAPTL3MBTL1HPGDALDH1A1LMNA
SCHEMBL1391227 0.80 MAPT (0.49) MAPTL3MBTL1HPGDTDP1ALDH1A1
SCHEMBL1390954 0.80 MAPT (0.49) MAPTL3MBTL1HPGDTDP1ALDH1A1
SCHEMBL21191023 0.80 HRH3 (0.39) L3MBTL1ALDH1A1KMT2AGFER
SCHEMBL18994421 0.79 MAPT (0.47) MAPTL3MBTL1HPGDTDP1ALDH1A1
SCHEMBL16658437 0.79 MAPT (0.47) MAPTL3MBTL1HPGDTDP1ALDH1A1
SCHEMBL20819545 0.76 LMNA (0.49) MAPTL3MBTL1HPGDTDP1ALDH1A1
SCHEMBL2574095 0.76 MAPT (0.48) MAPTL3MBTL1HPGDTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023592-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-07-17 US disclosed
US-20170158709-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RES INC (US) 2017-06-08 US disclosed
US-9598372-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-03-21 US disclosed
US-20160115134-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2016-04-28 US disclosed
US-9115114-B2 Bromodomain inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-08-25 US disclosed
US-20150183784-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2015-07-02 US disclosed
US-9034900-B2 Bromodomain inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-05-19 US disclosed
US-20150111885-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2015-04-23 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 (5 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-20170158709-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 MAPT 2462/4885L3MBTL1 1519/4885HPGD 1266/4885
US-20150111885-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 MAPT 2462/4885L3MBTL1 1519/4885HPGD 1266/4885
US-10023592-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 MAPT 2462/4885L3MBTL1 1519/4885HPGD 1266/4885
US-20150183784-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 MAPT 2462/4885L3MBTL1 1519/4885HPGD 1266/4885
US-20160115134-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 MAPT 2462/4885L3MBTL1 1519/4885HPGD 1266/4885

“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.