SCHEMBL10097494

SCHEMBL10097494

CCCCn1c(-c2ccc(NC(=O)NCCC)cc2)c(N)c2ccc(OCC)cc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
HPGD P15428 1/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 3/20 0.41
KDR P35968 1/20 0.40
NPC1 O15118 1/20 0.40
PSEN1 P49768 4/20 0.39
PSEN2 P49810 4/20 0.39
APH1B Q8WW43 4/20 0.39
NCSTN Q92542 4/20 0.39
APH1A Q96BI3 4/20 0.39
PSENEN Q9NZ42 4/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL10097517 0.96 MAPT (0.50) MAPTHPGDKMT2ATP53KDR
SCHEMBL12108935 0.94 MAPT (0.45) MAPTHPGDKMT2ATP53KDR
SCHEMBL13152410 0.94 MAPT (0.44) MAPTHPGDKMT2AKDRNPC1
SCHEMBL10097682 0.93 MAPT (0.48) MAPTHPGDKMT2ATP53KDR
SCHEMBL13152308 0.92 HSD17B10 (0.42) MAPTHPGDTP53KDRNPC1
SCHEMBL10097427 0.91 KMT2A (0.52) MAPTKMT2ATP53NPC1
SCHEMBL10097442 0.90 MAPT (0.47) MAPTHPGDKMT2ATP53KDR
SCHEMBL13152397 0.88 ALDH1A1 (0.43) MAPTKMT2ATP53PSEN1PSEN2
SCHEMBL13152653 0.88 MAPT (0.41) MAPTHPGDKMT2ATP53KDR
SCHEMBL10251176 0.88 HSD17B10 (0.44) MAPTTP53KDRLMNAKDM4E

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 6 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-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 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-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS MAPT 4477/4885HPGD 3255/4885KMT2A 4464/4885
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.