SCHEMBL784031

SCHEMBL784031

CC(C)n1cc(C(=O)NF)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 3/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GFER P55789 1/20 0.43
CCNT1 O60563 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42

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
SCHEMBL2082208 0.81 CA12 (0.52) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL12444946 0.81 KAT2B (0.56) ALDH1A1SMN1; SMN2LMNACA12CA1
SCHEMBL2434968 0.80 NR4A2 (0.65) ALDH1A1SMN1; SMN2LMNAMAPTGAA
SCHEMBL28131951 0.80 OPRM1 (0.47) ALDH1A1SMN1; SMN2MAPTGAACA12
SCHEMBL7440018 0.80 CA12 (0.45) ALDH1A1SMN1; SMN2LMNAMAPTGAA
SCHEMBL29052319 0.79 HTT (0.66) ALDH1A1MAPK1CA12CA1CA2
SCHEMBL598300 0.77 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAMAPTGAA
SCHEMBL27596570 0.75 CA12 (0.39) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL15723831 0.74 CCNT1 (0.43) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL10321788 0.74 NR4A2 (0.64) ALDH1A1LMNACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841302-B2 HCV inhibitor and therapeutic agent combinations PTC THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-20120070412-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-03-22 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-20120070412-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP ALDH1A1 1067/4885SMN1; SMN2 4565/4885LMNA 4367/4885

“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.