SCHEMBL4890353

SCHEMBL4890353

O=C(O)Nc1ccc2ncccc2c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.79
POLB P06746 2/20 0.79
MEN1 O00255 2/20 0.79
KMT2A Q03164 2/20 0.79
MAPT P10636 1/20 0.79
PABPC1 P11940 1/20 0.73
RAB9A P51151 6/20 0.68
ALDH1A1 P00352 3/20 0.63
NAMPT P43490 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
TSHR P16473 1/20 0.60
HSD17B10 Q99714 1/20 0.60
NOTUM Q6P988 1/20 0.60
HTT P42858 2/20 0.59

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
SCHEMBL30741445 1.00 NPC1 (0.79) NPC1POLBMEN1KMT2AMAPT
SCHEMBL31054249 0.88 NPC1 (1.00) NPC1POLBMEN1KMT2AMAPT
SCHEMBL651929 0.88 NPC1 (1.00) NPC1POLBMEN1KMT2AMAPT
SCHEMBL27528745 0.87 MEN1 (0.63) NPC1POLBMEN1KMT2AMAPT
SCHEMBL5658310 0.86 NPC1 (0.88) NPC1POLBMEN1KMT2AMAPT
SCHEMBL1538297 0.85 NPC1 (0.77) NPC1POLBMEN1KMT2AMAPT
SCHEMBL4960580 0.85 NPC1 (0.77) NPC1POLBMEN1KMT2AMAPT
SCHEMBL18885828 0.85 NPC1 (0.77) NPC1POLBMEN1KMT2AMAPT
SCHEMBL29728201 0.85 NPC1 (0.77) NPC1POLBMEN1KMT2AMAPT
SCHEMBL29944526 0.85 NPC1 (0.77) NPC1POLBMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119403554-A Therapeutic or prophylactic agent for amyotrophic lateral sclerosis 东丽株式会社 2025-02-07 CN disclosed
WO-2023249105-A1 THERAPEUTIC AGENT OR PREVENTIVE AGENT FOR DRUG-INDUCED MYOCARDIAL DISORDERS 東レ株式会社 2023-12-28 WO disclosed
WO-2023249106-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR AMYOTROPHIC LATERAL SCLEROSIS 東レ株式会社 2023-12-28 WO disclosed
WO-2023249107-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR PERIPHERAL NERVE DISORDER 東レ株式会社 2023-12-28 WO disclosed
CN-116648245-A Tetrahydroquinoline derivative and medical application thereof 东丽株式会社 2023-08-25 CN disclosed
WO-2020081636-A1 INDOLE AHR INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2020-04-23 WO disclosed
EP-2661431-B1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2018-07-11 EP disclosed
EP-3170824-A1 6-([1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YLMETHYL)-1,6-NAPHTHYRIDIN-5(6H)-ONE DERIVATIVES AS C-MET INHIBITORS Amgen, Inc (US) 2017-05-24 EP disclosed
US-9073902-B2 Substituted quinoxaline carboxylic acid compounds for the inhibition of PASK BIOENERGENIX, LLC (US) 2015-07-07 US disclosed
EP-2661431-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK Bioenergenix (US) 2013-11-13 EP disclosed
US-20120220589-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-08-30 US disclosed
WO-2012094462-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-07-12 WO disclosed
US-20080249075-A1 C11 Modified Retrosteroids as Progesterone Receptor Modulator Compounds SOLVAY PHARMACEUTICALS GMBH (DE) 2008-10-09 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 (2 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-20120220589-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 NPC1 3570/4885POLB 1468/4885MEN1 3040/4885
US-20080249075-A1 C11 Modified Retrosteroids as Progesterone Receptor Modulator Compounds HSD17B11, CYP19A1, ESRRA NPC1 1422/4885POLB 3624/4885MEN1 639/4885

“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.