SCHEMBL10193371

SCHEMBL10193371

CCCOC(=O)Nc1ccc2c(C#CN)cn(-c3ccc(OC)cc3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 4/20 0.41
TP53 P04637 3/20 0.41
MAPK8 P45983 1/20 0.40
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
KDM4E B2RXH2 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
KMT2A Q03164 1/20 0.37
RELA Q04206 1/20 0.37
EGFR P00533 2/20 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
SCHEMBL979574 0.89 IMPDH2 (0.48)
SCHEMBL10254742 0.85 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPK1HPGDTP53
SCHEMBL10193370 0.74 MAPT (0.46) SMN1; SMN2ALDH1A1MAPK1HPGDTP53
SCHEMBL10095308 0.73 IMPDH2 (0.49) SMN1; SMN2ALDH1A1HPGDKDM4EMAPT
SCHEMBL21059104 0.72 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1MAPK1HPGDTP53
SCHEMBL10095328 0.69 IMPDH2 (0.47) SMN1; SMN2ALDH1A1HPGDMAPTKMT2A
SCHEMBL21059190 0.66 RAB9A (0.73) SMN1; SMN2ALDH1A1MAPK1HPGDTP53
SCHEMBL13152103 0.66 MAPK8 (0.44) SMN1; SMN2ALDH1A1MAPK1HPGDTP53
SCHEMBL10097783 0.65 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPK1HPGDTP53
SCHEMBL13152778 0.64 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPK1HPGDTP53

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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS SMN1; SMN2 4525/4885ALDH1A1 591/4885MAPK1 4384/4885

“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.