SCHEMBL737979

SCHEMBL737979

CCCc1c(F)[c]nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 3/20 0.56
HPGD P15428 2/20 0.56
GAA P10253 1/20 0.56
TLR8 Q9NR97 8/20 0.38
ELANE P08246 1/20 0.36
CYP1A2 P05177 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MAPK1 P28482 1/20 0.33
TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL736210 0.90 TLR8 (0.45) KDM4EALDH1A1HPGDGAATLR8
SCHEMBL737978 0.77 ALDH1A1 (0.43) KDM4EALDH1A1HPGDGAATLR8
SCHEMBL740449 0.73 KMT2A (0.40) KDM4EALDH1A1HPGDGAACYP1A2
SCHEMBL3343659 0.72 KDM4E (1.00) KDM4EALDH1A1HPGDGAATLR8
SCHEMBL736209 0.71 PARP1 (0.39) KDM4EALDH1A1HPGDGAATLR8
SCHEMBL797469 0.66 KDM4E (0.67) KDM4EALDH1A1HPGDGAAELANE
SCHEMBL740448 0.66 GPR3 (0.36) KDM4EALDH1A1HPGDGAAELANE
Acridine SCHEMBL21810741 0.66 KDM4E (0.82) KDM4EALDH1A1HPGDGAATLR8
SCHEMBL28985726 0.66 ALDH1A1 (0.70) KDM4EALDH1A1HPGDGAATLR8
SCHEMBL30197653 0.66 ALDH1A1 (0.70) KDM4EALDH1A1HPGDGAATLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847545-B1 SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME UBE INDUSTRIES (JP) 2013-03-06 EP claimed
US-8137821-B2 Substituted ethynyl gold-nitrogen containing heterocyclic carbene complex and organic electroluminescent device using the same UBE INDUSTRIES, LTD. (JP) 2012-03-20 US claimed
US-20090091243-A1 Substituted Ethynyl Gold-Nitrogen Containing Heterocyclic Carbene Complex and Organic Electroluminescent Device Using the Same UBE INDUSTRIES, LTD. (JP) 2009-04-09 US claimed
EP-1847545-A1 SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME Ube Industries, Ltd. (JP) 2007-10-24 EP claimed

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-20090091243-A1 Substituted Ethynyl Gold-Nitrogen Containing Heterocyclic Carbene Complex and Organic Electroluminescent Device Using the Same ACSL3, ATXN2L, ACSL1 KDM4E 1868/4885ALDH1A1 754/4885HPGD 3399/4885

“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.