SCHEMBL10097643

SCHEMBL10097643

CCOc1ccc2c(N)c(-c3ccc(NC(=O)NCCCl)cc3)n(CC)c2c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.42
HPGD P15428 1/20 0.41
KMT2A Q03164 2/20 0.40
TP53 P04637 4/20 0.39
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 1/20 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
SCHEMBL10256105 0.92 MAPT (0.43) MAPTKMT2ANPC1ALDH1A1KDM4E
SCHEMBL10097442 0.91 MAPT (0.47) MAPTHPGDKMT2ATP53ALDH1A1
SCHEMBL10252494 0.88 MEN1 (0.41) MAPTKMT2ATP53NPC1LMNA
SCHEMBL10097381 0.88 KMT2A (0.53) MAPTKMT2ATP53NPC1SMN1; SMN2
SCHEMBL10095930 0.86 MAPT (0.41) MAPTHPGDKMT2ATP53NPC1
SCHEMBL10097352 0.86 MAPT (0.45) MAPTHPGDKMT2ATP53NPC1
SCHEMBL12108935 0.86 MAPT (0.45) MAPTHPGDKMT2ATP53NPC1
SCHEMBL13151732 0.85 KMT2A (0.52) MAPTHPGDKMT2ATP53NPC1
SCHEMBL10097510 0.85 EPHX2 (0.49) MAPTSMN1; SMN2
SCHEMBL13151914 0.85 MAPT (0.41) MAPTHPGDKMT2ATP53NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
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 (2 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 MAPT 4416/4885HPGD 1033/4885KMT2A 3974/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MAPT 4044/4885HPGD 1854/4885KMT2A 4114/4885

“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.