SCHEMBL764538

SCHEMBL764538

Cc1cccc(Cc2ccccn2)n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.49
HRH3 Q9Y5N1 2/20 0.47
LMNA P02545 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
SYK P43405 1/20 0.45
AURKB Q96GD4 1/20 0.45
INCENP Q9NQS7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ASIC3 Q9UHC3 1/20 0.44
CXCR4 P61073 1/20 0.43
HRH1 P35367 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
APP P05067 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL580640 0.86 L3MBTL1 (0.52) HRH3LMNATAAR1ALDH1A1ALOX15
SCHEMBL14082023 0.85 CCR1 (0.52) GRM5LMNAALDH1A1ALOX15SMN1; SMN2
SCHEMBL13384818 0.81 HRH1 (0.51) GRM5HRH3LMNATAAR1ALDH1A1
SCHEMBL29830938 0.81 L3MBTL1 (0.59) HRH3LMNATAAR1ALDH1A1ALOX15
SCHEMBL41191 0.81 L3MBTL1 (0.59) HRH3LMNATAAR1ALDH1A1ALOX15
SCHEMBL764510 0.81 HRH3 (0.47) HRH3LMNATAAR1ALDH1A1ALOX15
SCHEMBL13197295 0.80 SMN1; SMN2 (0.56) GRM5HRH3LMNAALDH1A1L3MBTL1
SCHEMBL5027216 0.80 TDP1 (0.59) GRM5HRH3SYKAURKBINCENP
SCHEMBL22237114 0.80 MBOAT4 (0.37) GRM5SMN1; SMN2
SCHEMBL5023208 0.80 TDP1 (0.59) GRM5HRH3SYKAURKBINCENP

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
US-9899611-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-20 US disclosed
US-9818960-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-11-14 US disclosed
EP-2133335-B9 SPHINGOSINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND SPHINGOMYELINASE INHIBITOR OTSUKA CHEMICAL CO LTD (JP) 2012-03-21 EP disclosed
US-8093395-B2 Sphingosine compound, method for producing the same, and sphingomyelinase inhibitor OTSUKA CHEMICAL CO., LTD. (JP) 2012-01-10 US disclosed
US-8093395-B2 Sphingosine compound, method for producing the same, and sphingomyelinase inhibitor OTSUKA CHEMICAL CO., LTD. (JP) 2012-01-10 US disclosed
EP-2133335-B1 SPHINGOSINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND SPHINGOMYELINASE INHIBITOR OTSUKA CHEMICAL CO LTD (JP) 2011-09-28 EP disclosed
US-20100099881-A1 SPHINGOSINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND SPHINGOMYELINASE INHIBITOR OTSUKA CHEMICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099881-A1 SPHINGOSINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND SPHINGOMYELINASE INHIBITOR OTSUKA CHEMICAL CO., LTD. (JP) 2010-04-22 US disclosed
EP-2133335-A1 SPHINGOSINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND SPHINGOMYELINASE INHIBITOR Otsuka Chemical Co., Ltd. (JP) 2009-12-16 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-20100099881-A1 SPHINGOSINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND SPHINGOMYELINASE INHIBITOR SGPL1, SMPD1, SPHK1 GRM5 1859/4885HRH3 549/4885LMNA 1776/4885

“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.