SCHEMBL4710844

SCHEMBL4710844

NC(=O)c1cc(Br)cc(N)c1C(=O)c1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
ALDH1A1 P00352 5/20 0.45
CTSL P07711 2/20 0.44
DGAT1 O75907 1/20 0.44
POLB P06746 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 1/20 0.36
IKBKB O14920 1/20 0.36
GSTA1 P08263 1/20 0.36
HTT P42858 1/20 0.35
KAT6A Q92794 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL4716637 0.80 ALDH1A1 (0.47) MAPTALDH1A1CES2CES1ALOX15
SCHEMBL1623334 0.80 MAPT (0.46) MAPTALOX15KMT2AHTTHSD17B10
SCHEMBL638047 0.77 MAPT (0.63) MAPTALDH1A1CTSLDGAT1POLB
SCHEMBL30375142 0.77 MAPT (0.63) MAPTALDH1A1CTSLDGAT1POLB
SCHEMBL2703001 0.76 MAPT (0.56) MAPTALDH1A1CTSLDGAT1POLB
Water SCHEMBL27623262 0.74 CES2 (0.62) MAPTALDH1A1DGAT1CES2CES1
SCHEMBL80721 0.72 CES2 (0.65) MAPTALDH1A1DGAT1CES2CES1
SCHEMBL29482931 0.72 CES2 (0.65) MAPTALDH1A1DGAT1CES2CES1
SCHEMBL15263472 0.72 CTSL (0.63) MAPTALDH1A1CTSLPOLBCES2
SCHEMBL23723698 0.71 DGAT1 (0.48) MAPTDGAT1KMT2AIKBKBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268857-B2 Compositions and methods for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
EP-1603908-B1 QUINAZOLINE DERIVATIVES AS TGF-BETA INHIBITORS MILLENNIUM PHARM INC (US) 2008-06-11 EP disclosed
US-20070142408-A1 Compositions and methods for inhibiting TGF-Beta MILLENNIUM PHARMACEUTICALS, INC. 2007-06-21 US disclosed
US-7189733-B2 Compositions and methods for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-03-13 US disclosed
EP-1603908-A1 QUINAZOLINE DERIVATIVES AS TGF-BETA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-12-14 EP disclosed
US-20040204431-A1 Compositions and methods for inhibiting TGF-beta MILLENNIUM PHARMACEUTICALS, INC. 2004-10-14 US disclosed
WO-2004081009-A1 QUINAZOLINE DERIVATIVES AS TGF-BETA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-09-23 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-20040204431-A1 Compositions and methods for inhibiting TGF-beta TGFB1, TGFBR2, TGFB2 MAPT 3416/4885ALDH1A1 2279/4885CTSL 1665/4885
US-20070142408-A1 Compositions and methods for inhibiting TGF-Beta TGFB1, TGFB2, TGFBR1 MAPT 2547/4885ALDH1A1 1594/4885CTSL 2112/4885

“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.