SCHEMBL10097352

SCHEMBL10097352

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.45
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 3/20 0.45
POLB P06746 2/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PPID Q08752 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 3/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PPIB P23284 1/20 0.37
PPIA P62937 1/20 0.37
PPIG Q13427 1/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 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
SCHEMBL2457063 0.87 MAPT (0.45) MAPTALDH1A1KDM4EHSD17B10POLB
SCHEMBL10097442 0.86 MAPT (0.47) MAPTALDH1A1HPGDKMT2ATP53
SCHEMBL10097643 0.86 MAPT (0.42) MAPTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL13151732 0.85 KMT2A (0.52) MAPTALDH1A1KDM4EPOLBHPGD
SCHEMBL13151914 0.84 MAPT (0.41) MAPTALDH1A1KDM4EHSD17B10POLB
SCHEMBL13151745 0.84 POLB (0.45) MAPTALDH1A1KDM4EPOLBTSHR
SCHEMBL10097381 0.83 KMT2A (0.53) MAPTPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL10097492 0.82 SMN1; SMN2 (0.43) MAPTALDH1A1KDM4EPOLBHPGD
SCHEMBL12950382 0.82 MAPT (0.42) MAPTALDH1A1KDM4EHSD17B10POLB
SCHEMBL13151783 0.82 MAPT (0.44) MAPTALDH1A1KDM4EHSD17B10POLB

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 5 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
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 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

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 4416/4885ALDH1A1 591/4885KDM4E 3703/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MAPT 4044/4885ALDH1A1 1067/4885KDM4E 4208/4885

“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.