SCHEMBL10097724

SCHEMBL10097724

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPT P10636 10/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ACACB O00763 1/20 0.40
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TTK P33981 1/20 0.38
MAPK8 P45983 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TSHR P16473 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
SCHEMBL13152128 0.90 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL13152134 0.89 MAPT (0.42) ALDH1A1MAPTMEN1KMT2ATP53
SCHEMBL13152494 0.87 NPC1 (0.44) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL13152654 0.87 HPGD (0.41) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL10097644 0.87 MAPT (0.45) ALDH1A1MAPTMEN1KMT2ATP53
SCHEMBL10097816 0.87 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2AACACB
SCHEMBL10096385 0.86 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AACACB
SCHEMBL13152397 0.85 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL10097595 0.85 ALDH1A1 (0.48) ALDH1A1MAPTACACBSMN1; SMN2KDM4E
SCHEMBL13152492 0.85 SMN1; SMN2 (0.42) ALDH1A1MAPTMEN1KMT2ATP53

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
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO 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 (1 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-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP ALDH1A1 1067/4885MAPT 4044/4885MEN1 4860/4885

“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.