SCHEMBL10097442

SCHEMBL10097442

CCCCNC(=O)Nc1ccc(-c2c(N)c3ccc(OCC)cc3n2CC)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
KMT2A Q03164 1/20 0.45
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
KDR P35968 3/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
ABCB1 P08183 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
EPHX1 P07099 1/20 0.39
JAK1 P23458 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 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
SCHEMBL10097517 0.94 MAPT (0.50) MAPTKMT2AHDAC1HDAC2KDR
SCHEMBL10097682 0.94 MAPT (0.48) MAPTKMT2AHDAC1HDAC2KDR
SCHEMBL10097444 0.91 HDAC1 (0.40) MAPTHDAC1HDAC2KDRALDH1A1
SCHEMBL10097643 0.91 MAPT (0.42) MAPTKMT2AALDH1A1LMNATP53
SCHEMBL10097432 0.90 MAPT (0.45) MAPTKMT2AKDRALDH1A1LMNA
SCHEMBL10097494 0.90 MAPT (0.48) MAPTKMT2AKDRALDH1A1LMNA
SCHEMBL10097437 0.89 HDAC1 (0.41) MAPTKMT2AHDAC1HDAC2KDR
SCHEMBL10097519 0.88 EPHX2 (0.43) MAPTKMT2AHDAC1HDAC2KDR
SCHEMBL12108935 0.88 MAPT (0.45) MAPTKMT2AKDRALDH1A1LMNA
SCHEMBL10097381 0.88 KMT2A (0.53) MAPTKMT2AHDAC1HDAC2TP53

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-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS MAPT 3547/4885KMT2A 4617/4885HDAC1 1750/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS MAPT 4477/4885KMT2A 4464/4885HDAC1 591/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MAPT 4044/4885KMT2A 4114/4885HDAC1 833/4885

“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.