SCHEMBL4922738

SCHEMBL4922738

Clc1ncnc2c1nnn2Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
NPSR1 Q6W5P4 4/20 0.64
PKM P14618 3/20 0.64
TSHR P16473 2/20 0.64
KDM4E B2RXH2 2/20 0.64
GAA P10253 1/20 0.64
HPGD P15428 3/20 0.64
LMNA P02545 2/20 0.63
RECQL P46063 1/20 0.63
HTT P42858 1/20 0.61

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
SCHEMBL4925956 0.86 ALDH1A1 (0.63) ALDH1A1NPSR1PKMTSHRKDM4E
SCHEMBL9476484 0.85 GRM2 (0.53) ALDH1A1NPSR1PKMTSHRKDM4E
SCHEMBL9476208 0.85 HTT (0.58) ALDH1A1NPSR1PKMTSHRKDM4E
SCHEMBL4923637 0.84 ALDH1A1 (0.69) ALDH1A1NPSR1PKMTSHRKDM4E
SCHEMBL15313079 0.83 ALDH1A1 (0.63) ALDH1A1NPSR1PKMTSHRKDM4E
SCHEMBL15313075 0.82 CYBB (0.69) ALDH1A1NPSR1PKMTSHRKDM4E
SCHEMBL9477387 0.82 HTT (0.51) ALDH1A1NPSR1PKMTSHRKDM4E
SCHEMBL4928309 0.81 ALDH1A1 (0.52) ALDH1A1NPSR1PKMTSHRKDM4E
SCHEMBL9476934 0.81 ALDH1A1 (0.53) ALDH1A1NPSR1PKMTSHRKDM4E
SCHEMBL9475889 0.81 ALDH1A1 (0.61) ALDH1A1PKMTSHRKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756113-B1 COMPOUNDS CONTAINING A N-HETEROARYL MOIETY LINKED TO FUSED RING MOIETIES FOR THE INHIBITION OF NAD(P)H OXIDASES AND PLATELET ACTIVATION VASOPHARM GMBH (DE) 2014-05-07 EP disclosed
US-8236809-B2 Substituted 1,2,3-triazolopyrimidines for the inhibition of NAD(P)H oxidases and platelet activation VASOPHARM GMBH (DE) 2012-08-07 US disclosed
US-20080044354-A1 Compounds Containing a N-Heteroaryl Moiety Linked to Fused Ring Moieties for the Inhibition of Nad(P)H Oxidases and Platelet Activation VASOPHARM GMBH (DE) 2008-02-21 US disclosed
EP-1756113-A1 COMPOUNDS CONTAINING A N-HETEROARYL MOIETY LINKED TO FUSED RING MOIETIES FOR THE INHIBITION OF NAD(P)H OXIDASES AND PLATELET ACTIVATION Vasopharm Biotech GmbH (DE) 2007-02-28 EP disclosed
WO-2005111041-A1 COMPOUNDS CONTAINING A N-HETEROARYL MOIETY LINKED TO FUSED RING MOIETIES FOR THE INHIBITION OF NAD(P)H OXIDASES AND PLATELET ACTIVATION VASOPHARM BIOTECH GMBH (DE) 2005-11-24 WO disclosed
EP-1598354-A1 Compounds containing a N-heteroaryl moiety linked to fused ring moieties for the inhibition of NAD(P)H oxidases and platelet activation Vasopharm Biotech GmbH (DE) 2005-11-23 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-20080044354-A1 Compounds Containing a N-Heteroaryl Moiety Linked to Fused Ring Moieties for the Inhibition of Nad(P)H Oxidases and Platelet Activation NQO1, CYBB, NADK ALDH1A1 284/4885NPSR1 932/4885PKM 2095/4885

“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.