SCHEMBL20022007

SCHEMBL20022007

COc1cc(C)c(Cl)c(N=C=O)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
TRPA1 O75762 1/20 0.33
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.31
POLB P06746 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL374141 0.89 TDP1 (0.46) CYP3A4TDP1ALDH1A1HPGDGABRA1
SCHEMBL17775843 0.83 GABRA1 (0.33) ALDH1A1GABRA1GABRB2GLATSHR
SCHEMBL374359 0.74 ALDH1A1 (0.42) CYP3A4TDP1ALDH1A1HPGDGABRA1
SCHEMBL29796039 0.72 ALDH1A1 (0.53) CYP3A4TDP1ALDH1A1HPGDGLA
SCHEMBL23214234 0.72 ALDH1A1 (0.53) CYP3A4TDP1ALDH1A1HPGDGLA
SCHEMBL29795909 0.72 GABRA1 (0.39) CYP3A4TDP1GABRA1GABRB2TRPA1
SCHEMBL23213592 0.72 GABRA1 (0.39) CYP3A4TDP1GABRA1GABRB2TRPA1
SCHEMBL11559627 0.71 CYP3A4 (0.55) CYP3A4TDP1ALDH1A1HPGDGLA
SCHEMBL17764871 0.71 GABRA1 (0.37) CYP3A4TDP1ALDH1A1HPGDGABRA1
SCHEMBL23213549 0.71 GABRA1 (0.38) CYP3A4TDP1ALDH1A1GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093972-A1 CRYSTALLINE FGFR4 INHIBITOR COMPOUND AND USES THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-04-05 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 (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-20180093972-A1 CRYSTALLINE FGFR4 INHIBITOR COMPOUND AND USES THEREOF FGFR4, FGFR1, FGFR3 CYP3A4 755/4885TDP1 1710/4885ALDH1A1 2146/4885

“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.