SCHEMBL737625

SCHEMBL737625

C#Cc1ccc(F)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
HPRT1 P00492 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
FABP7 O15540 1/20 0.31
FABP3 P05413 1/20 0.31
FABP5 Q01469 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MPI P34949 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31
FABP4 P15090 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL5179481 0.85 IMPDH2 (0.37) ALDH1A1TSHRFABP7FABP3FABP5
SCHEMBL1363490 0.77 IMPDH2 (0.52) ALDH1A1KDM4EIMPDH2IMPDH1GAA
SCHEMBL3251429 0.77 ALDH1A1 (0.36) SLC6A4SLC6A3HPRT1ALDH1A1TSHR
SCHEMBL5572138 0.77 SLC6A4 (0.33) SLC6A4SLC6A3HPRT1ALDH1A1TSHR
SCHEMBL30366540 0.77 HPRT1 (0.46) SLC6A4SLC6A3HPRT1ALDH1A1TSHR
SCHEMBL6562728 0.77 HPRT1 (0.46) SLC6A4SLC6A3HPRT1ALDH1A1TSHR
SCHEMBL6894903 0.75 FABP7 (0.39) ALDH1A1TSHRFABP7FABP3FABP5
SCHEMBL31048897 0.74 ESR1 (0.47) ALDH1A1KDM4EESR1ESR2HTT
SCHEMBL14873787 0.73 RXFP1 (0.36) FABP7FABP3FABP5L3MBTL1IMPDH2
SCHEMBL688880 0.73 IDO1 (0.46) HPRT1ALDH1A1TSHRFABP7FABP3

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 disclosed
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 disclosed
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 disclosed
EP-1847545-A1 SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME Ube Industries, Ltd. (JP) 2007-10-24 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-20090091243-A1 Substituted Ethynyl Gold-Nitrogen Containing Heterocyclic Carbene Complex and Organic Electroluminescent Device Using the Same ACSL3, ATXN2L, ACSL1 SLC6A4 4603/4885SLC6A3 4460/4885HPRT1 3842/4885

“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.