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SCHEMBL824676

SCHEMBL824676

O=C(CCl)Nc1ccc2cc(-c3ccccc3)[nH]c(=O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ HTT P42858 5/20 0.52
▸ MITF O75030 3/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ PDE10A Q9Y233 1/20 0.52
▸ GSTO1 P78417 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MAPT P10636 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ RNF4 P78317 1/20 0.43
▸ PARP1 P09874 3/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ TNKS O95271 1/20 0.42

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
SCHEMBL824730 0.89 PDE10A (0.53) PDE10APOLBMAPTMEN1KMT2A
SCHEMBL824677 0.88 PDE10A (0.52) PDE10APOLBMAPTMEN1KMT2A
SCHEMBL2712131 0.86 PDE10A (0.48) PDE10AMAPTMEN1KMT2AKDM4E
SCHEMBL2712188 0.86 PDE10A (0.50) PDE10APOLBMAPTMEN1KMT2A
SCHEMBL824674 0.85 CYP2C19 (0.55) ALDH1A1HTTRAB9ASMN1; SMN2NPC1
SCHEMBL824750 0.85 PARP1 (0.61) ALDH1A1PDE10AMAPK1PARP1TNKS
SCHEMBL824936 0.84 MAPT (0.58) ALDH1A1HTTRAB9ASMN1; SMN2NPC1
SCHEMBL824726 0.84 ADORA1 (0.51) ALDH1A1RAB9ASMN1; SMN2NPC1PDE10A
SCHEMBL824675 0.82 PTPRC (0.54) ALDH1A1RAB9ASMN1; SMN2NPC1PDE10A
Trifluoroacetic Acid SCHEMBL828477 0.82 PDE10A (0.47) PDE10APOLBMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724262-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-05-02 — — EP disclosed
EP-1724262-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-05-02 — — EP disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 — — US disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 — — US disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 — — US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 — — US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 — — US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 — — US disclosed
EP-1724262-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-11-22 — — EP 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-20070185160-A1 1-(2H)-isoquinolone derivative NR3C2, NR1H4, NR3C1 ALDH1A1 2752/4885HTT 2919/4885MITF 3695/4885

“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.