SCHEMBL1368028

SCHEMBL1368028

N#CCc1ccc(COCCc2ccc(Cl)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
AGXT P21549 2/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 3/20 0.39
TAAR1 Q96RJ0 2/20 0.37
HCAR2 Q8TDS4 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 2/20 0.36
MIF P14174 1/20 0.35
HTT P42858 2/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.35
APP P05067 1/20 0.34

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
SCHEMBL38192 0.80 IDO1 (0.46) IDO1AGXTMAPTMEN1KMT2A
Methane SCHEMBL4574569 0.78 IDO1 (0.44) IDO1AGXTMAPTMEN1KMT2A
Ammonia Solution, Strong SCHEMBL28307654 0.78 IDO1 (0.44) IDO1AGXTMAPTMEN1KMT2A
SCHEMBL1367689 0.77 IDO1 (0.44) IDO1AGXTKMT2AMAOBTAAR1
SCHEMBL11228865 0.75 TAAR1 (0.54) IDO1AGXTMAOBTAAR1MIF
SCHEMBL23578319 0.74 MAOB (0.47) IDO1MAPTMEN1KMT2AL3MBTL1
SCHEMBL8993309 0.74 MAPT (0.41) IDO1AGXTMAPTMEN1KMT2A
SCHEMBL28452337 0.73 IDO1 (0.56) IDO1AGXTKMT2AMAOBTAAR1
SCHEMBL4995796 0.71 IDO1 (0.64) IDO1AGXTMAPTMEN1KMT2A
SCHEMBL7432227 0.70 IDO1 (0.52) IDO1AGXTKMT2AMAOBTAAR1

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-8461329-B2 Isoquinoline derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-11 US disclosed
US-20110288293-A1 ISOQUINOLINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-11-24 US disclosed
EP-2377851-A1 ISOQUINOLINE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2011-10-19 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-20110288293-A1 ISOQUINOLINE DERIVATIVE HRH1, HRH2, HRH4 IDO1 403/4885AGXT 3387/4885MAPT 3078/4885

“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.