SCHEMBL10249498

SCHEMBL10249498

Nc1c(-c2ccc(NC(=O)NC3CCCC3)cc2)n(CC2CC2)c2cc(OC(F)F)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.42
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
EPHX2 P34913 5/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
KDR P35968 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KIT P10721 1/20 0.38
PDGFRA P16234 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL10095903 0.88 EPHX1 (0.42) EPHX1RAB9ANPC1EPHX2L3MBTL1
SCHEMBL10097465 0.88 RAB9A (0.57) EPHX1RAB9ANPC1EPHX2GAA
SCHEMBL10251510 0.87 KDR (0.39) ALDH1A1HTTKDRSMN1; SMN2MEN1
SCHEMBL10097673 0.86 GSK3B (0.40) L3MBTL1ALDH1A1MEN1KMT2AKIT
SCHEMBL10251097 0.85 GSK3B (0.37) RAB9AALDH1A1KDRMEN1KMT2A
SCHEMBL13152657 0.85 GSK3B (0.37) ALDH1A1HTTKDRSMN1; SMN2MEN1
SCHEMBL13152660 0.85 EPHX1 (0.43) EPHX1RAB9ANPC1EPHX2GAA
SCHEMBL10097780 0.85 ALDH1A1 (0.43) RAB9AEPHX2ALDH1A1KDRMEN1
SCHEMBL10097385 0.84 MAPT (0.40) EPHX1RAB9ANPC1ALDH1A1ADRB2
SCHEMBL10097757 0.83 TP53 (0.40) RAB9ANPC1ALDH1A1TP53

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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 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 (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 EPHX1 1562/4885RAB9A 3975/4885NPC1 297/4885

“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.