SCHEMBL13552799

SCHEMBL13552799

O=C(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ KCNK3 O14649 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ GAA P10253 1/20 0.46

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
SCHEMBL15502795 0.90 STK39 (0.53) LMNAMAPK1POLBNPC1RAB9A
SCHEMBL13552785 0.89 DNMT1 (0.49) LMNAPOLBNPC1RAB9ATDP1
SCHEMBL13043166 0.89 NPC1 (0.53) POLBSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL14707399 0.88 TRPV1 (0.46) NPC1RAB9ATDP1
SCHEMBL13552857 0.88 NPC1 (0.61) LMNAPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL13044592 0.88 CACNA1B (0.48) POLBALDH1A1NPC1RAB9ATDP1
SCHEMBL13044271 0.88 KMT2A (0.51) LMNAMAPK1POLBALDH1A1KDM4E
SCHEMBL14707505 0.88 SMARCA2 (0.52) LMNAPOLBNPC1RAB9A
SCHEMBL13554594 0.87 LMNA (0.49) LMNAMAPK1POLBSMN1; SMN2ALDH1A1
SCHEMBL13553141 0.86 TRPV1 (0.42) NPC1RAB9ATDP1

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 7 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

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 LMNA 3609/4885MAPK1 664/4885POLB 2865/4885
US-20120270858-A1 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling SHH, GLI1, SMO LMNA 4456/4885MAPK1 349/4885POLB 3536/4885
US-20140072630-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS SHH, GLI1, SMO LMNA 3609/4885MAPK1 664/4885POLB 2865/4885

“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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