SCHEMBL13552806

SCHEMBL13552806

O=C(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1ccco1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.62
▸ MAPT P10636 8/20 0.62
▸ MEN1 O00255 8/20 0.62
▸ TP53 P04637 2/20 0.62
▸ TSHR P16473 2/20 0.62
▸ RAB9A P51151 8/20 0.58
▸ NPC1 O15118 5/20 0.58
▸ CASP3 P42574 1/20 0.58
▸ SENP8 Q96LD8 1/20 0.58
▸ SENP7 Q9BQF6 1/20 0.58
▸ SENP6 Q9GZR1 1/20 0.58
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ ALDH1A1 P00352 5/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ HPGD P15428 4/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ NPSR1 Q6W5P4 3/20 0.52
▸ HTT P42858 3/20 0.52
▸ LMNA P02545 4/20 0.50

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
SCHEMBL13552865 0.85 S1PR4 (0.49) KMT2AMAPTMEN1TP53TSHR
SCHEMBL13043161 0.84 GRM4 (0.61) —
SCHEMBL13553001 0.84 PTPN7 (0.45) KMT2AMAPTMEN1TP53TSHR
SCHEMBL13043388 0.84 KMT2A (0.53) KMT2AMAPTMEN1TP53TSHR
SCHEMBL13552720 0.84 GRM4 (0.52) MAPTRAB9ANPC1CASP3HTT
SCHEMBL13552799 0.83 LMNA (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL13552838 0.82 MEN1 (0.55) KMT2AMAPTMEN1TP53TSHR
SCHEMBL15502795 0.82 STK39 (0.53) KMT2AMEN1RAB9ANPC1LMNA
SCHEMBL13552816 0.82 LMNA (0.52) KMT2AMAPTMEN1TSHRSMN1; SMN2
SCHEMBL13044323 0.81 MAPT (0.48) KMT2AMAPTMEN1RAB9ANPC1

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 KMT2A 2378/4885MAPT 427/4885MEN1 1016/4885
US-20120270858-A1 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling SHH, GLI1, SMO KMT2A 1798/4885MAPT 2831/4885MEN1 1456/4885
US-20140072630-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS SHH, GLI1, SMO KMT2A 2378/4885MAPT 427/4885MEN1 1016/4885

“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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