SCHEMBL4923637

SCHEMBL4923637

Clc1ccccc1Cn1nnc2c(Cl)ncnc21

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.69
PKM P14618 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
LMNA P02545 3/20 0.67
TSHR P16473 2/20 0.67
KDM4E B2RXH2 2/20 0.67
MAPK1 P28482 2/20 0.67
HSD17B10 Q99714 2/20 0.67
HTT P42858 1/20 0.67
HPGD P15428 4/20 0.56
TP53 P04637 2/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL9476934 0.86 ALDH1A1 (0.53) ALDH1A1PKMSMN1; SMN2LMNATSHR
SCHEMBL9475889 0.86 ALDH1A1 (0.61) ALDH1A1PKMSMN1; SMN2LMNATSHR
SCHEMBL4922738 0.84 ALDH1A1 (0.64) ALDH1A1PKMLMNATSHRKDM4E
SCHEMBL9476308 0.83 ALDH1A1 (0.62) ALDH1A1PKMSMN1; SMN2LMNATSHR
SCHEMBL9476378 0.83 ALDH1A1 (0.74) ALDH1A1PKMSMN1; SMN2LMNATSHR
SCHEMBL16554975 0.80 CNR2 (0.55) ALDH1A1PKMSMN1; SMN2LMNATSHR
SCHEMBL9476832 0.76 HSD17B10 (0.57) ALDH1A1PKMSMN1; SMN2LMNATSHR
SCHEMBL9476477 0.76 MEN1 (0.62) ALDH1A1PKMSMN1; SMN2LMNATSHR
SCHEMBL28781461 0.75 HDAC6 (0.51) ALDH1A1SMN1; SMN2LMNATSHRHPGD
SCHEMBL9476208 0.75 HTT (0.58) ALDH1A1PKMSMN1; SMN2LMNATSHR

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
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
US-5204353-A 3-benzyl-3H-1,2,3-triazolo[4,5-d]pyrimidines, compositions thereof, and method of treating epilepsy therewith CIBA-GEIGY CORPORATION (US) 1993-04-20 US disclosed
EP-0288431-B1 3H-1,2,3-triazolo[4,5-d]pyrimidines CIBA-GEIGY AG (CH) 1992-08-19 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-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 284/4885PKM 2095/4885SMN1; SMN2 2539/4885

“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.