SCHEMBL10097644

SCHEMBL10097644

CCCCNC(=O)Nc1ccc(-c2c(N)c3ccc(OCC)cc3n2C(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.45
KMT2A Q03164 3/20 0.43
KDR P35968 3/20 0.41
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 2/20 0.40
HPGD P15428 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 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
SCHEMBL13152134 0.95 MAPT (0.42) MAPTKMT2AKDRALDH1A1LMNA
SCHEMBL13152128 0.91 ALDH1A1 (0.42) MAPTKMT2AKDRALDH1A1HPGD
SCHEMBL10097769 0.88 KMT2A (0.52) MAPTKMT2AEPHX1LMNATP53
SCHEMBL14467118 0.87 MAPT (0.42) MAPTKMT2AKDRALDH1A1LMNA
SCHEMBL10097442 0.87 MAPT (0.47) MAPTKMT2AKDREPHX1ALDH1A1
SCHEMBL10097724 0.87 ALDH1A1 (0.47) MAPTKMT2AALDH1A1TP53MEN1
SCHEMBL10096371 0.87 MAPT (0.43) MAPTKMT2AKDREPHX1ALDH1A1
SCHEMBL10097682 0.86 MAPT (0.48) MAPTKMT2AKDRALDH1A1LMNA
SCHEMBL10097517 0.86 MAPT (0.50) MAPTKMT2AKDRALDH1A1LMNA
SCHEMBL13152494 0.84 NPC1 (0.44) MAPTKMT2AALDH1A1LMNATP53

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
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 (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 4617/4885KDR 4229/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS MAPT 4477/4885KMT2A 4464/4885KDR 4458/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MAPT 4044/4885KMT2A 4114/4885KDR 4728/4885

“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.