SCHEMBL19002485

SCHEMBL19002485

CCCC(=O)NCc1cccc(C#N)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.61
ERCC4 Q92889 1/20 0.61
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
EPHX2 P34913 3/20 0.49
MEP1A Q16819 1/20 0.49
MEP1B Q16820 1/20 0.49
ROCK2 O75116 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
VNN1 O95497 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL19049391 0.88 ERCC1 (0.64) ERCC1ERCC4MEP1AMEP1BROCK2
SCHEMBL17549817 0.85 CYP3A4 (0.68) CYP3A4CYP2C19L3MBTL1EPHX2
SCHEMBL26051518 0.83 SMN1; SMN2 (0.51) ERCC1ERCC4MEP1AMEP1BROCK2
SCHEMBL28822091 0.82 ERCC1 (0.64) ERCC1ERCC4MEP1AMEP1BROCK2
SCHEMBL19002484 0.82 CYP3A4 (0.56) CYP3A4CYP2C19L3MBTL1EPHX2
SCHEMBL38654611 0.82 ERCC1 (0.59) ERCC1ERCC4MEP1AMEP1BROCK2
SCHEMBL8645386 0.82 ERCC1 (0.59) ERCC1ERCC4MEP1AMEP1BROCK2
SCHEMBL24943229 0.82 ERCC1 (0.60) ERCC1ERCC4CYP3A4CYP2C19MEP1A
SCHEMBL19002510 0.82 ERCC1 (0.60) ERCC1ERCC4MEP1AMEP1BROCK2
SCHEMBL3461756 0.80 ERCC1 (0.60) ERCC1ERCC4CYP2C19MEP1AMEP1B

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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 ERCC1 3013/4885ERCC4 2678/4885CYP3A4 4589/4885

“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.