SCHEMBL13552955

SCHEMBL13552955

CN(C)c1ccc(NC(=S)Nc2ccc(Cl)c(-c3nccc4ccccc34)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ MITF O75030 1/20 0.42
▸ APP P05067 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SNCA P37840 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ GAA P10253 4/20 0.41
▸ NOX1 Q9Y5S8 2/20 0.41

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
SCHEMBL14707412 0.89 KDR (0.43) MAPTKMT2AALDH1A1MEN1RAB9A
SCHEMBL14707420 0.88 KMT2A (0.51) MAPTKMT2AALDH1A1MEN1RAB9A
SCHEMBL13552962 0.87 MAPT (0.38) MAPTKMT2AALDH1A1MEN1RAB9A
SCHEMBL13552954 0.86 GAA (0.47) MAPTKMT2AALDH1A1MEN1RAB9A
SCHEMBL13552952 0.86 KMT2A (0.45) MAPTKMT2AALDH1A1MEN1RAB9A
SCHEMBL13552957 0.86 MEN1 (0.47) MAPTKMT2AALDH1A1MEN1RAB9A
SCHEMBL13552953 0.85 KMT2A (0.49) MAPTKMT2AALDH1A1MEN1RAB9A
SCHEMBL13552736 0.84 ALDH1A1 (0.49) MAPTKMT2AALDH1A1MEN1RAB9A
SCHEMBL14707414 0.83 MAPT (0.39) MAPTKMT2AALDH1A1MEN1RAB9A
SCHEMBL13552973 0.83 RAB9A (0.51) MAPTKMT2AALDH1A1MEN1RAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9345699-B2 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling NANTBIOSCIENCE, INC. (US) 2016-05-24 — — US disclosed
US-9345699-B2 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling NANTBIOSCIENCE, INC. (US) 2016-05-24 — — US disclosed
US-20140072630-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS ABRAXIS BIOSCIENCE, LLC (US) 2014-03-13 — — US disclosed
US-20140072630-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS ABRAXIS BIOSCIENCE, LLC (US) 2014-03-13 — — US disclosed
US-20130045240-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS ABRAXIS BIOSCIENCE, LLC (US) 2013-02-21 — — US disclosed
US-20130045240-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS ABRAXIS BIOSCIENCE, LLC (US) 2013-02-21 — — US disclosed
US-20120270858-A1 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-10-25 — — US disclosed
US-20120270858-A1 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-10-25 — — 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-20130045240-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS SHH, GLI1, SMO MAPT 427/4885KMT2A 2378/4885ALDH1A1 1730/4885
US-20120270858-A1 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling SHH, GLI1, SMO MAPT 2831/4885KMT2A 1798/4885ALDH1A1 2485/4885
US-20140072630-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS SHH, GLI1, SMO MAPT 427/4885KMT2A 2378/4885ALDH1A1 1730/4885

“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.

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