SCHEMBL15315974

SCHEMBL15315974

c1ccc(-c2nc3ccccc3n2-c2ccc3ccccc3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
PDE6D O43924 1/20 0.46
ALDH2 P05091 1/20 0.46
ALDH3A1 P30838 1/20 0.46
HSD17B10 Q99714 4/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 2/20 0.44
GRIA1 P42261 1/20 0.43
CACNG8 Q8WXS5 1/20 0.43
CACNG2 Q9Y698 1/20 0.43
PDE10A Q9Y233 2/20 0.43
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
MAPK10 P53779 2/20 0.42
RAB9A P51151 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
SCHEMBL10041267 0.85 ESR1 (0.59) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL25668059 0.81 MAPK10 (0.47) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL1104808 0.80 MAPK1 (0.59) KDM4EALDH1A1HSD17B10MAPK1HTT
SCHEMBL28089399 0.79 PDE10A (0.48) KDM4EALDH1A1HSD17B10MAPK1HTT
SCHEMBL22461713 0.79 ESR1 (0.65) ESR1ESR2KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL28015991 0.78 PDE10A (0.47) KDM4EALDH1A1HSD17B10MAPK1HTT
SCHEMBL541157 0.78 ESR2 (0.78) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL65344 0.78 ESR1 (0.63) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL22507282 0.77 ESR1 (0.63) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL28915920 0.77 SMN1; SMN2 (0.50) KDM4EALDH1A1HPGDHSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130270541-A1 IMIDAZOLE COMPOUND PRODUCTION METHOD, IMIDAZOLE COMPOUND, IMIDAZOLE-BASED COMPOUND, ORGANIC METAL COMPLEX, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2013-10-17 US disclosed
US-20130270541-A1 IMIDAZOLE COMPOUND PRODUCTION METHOD, IMIDAZOLE COMPOUND, IMIDAZOLE-BASED COMPOUND, ORGANIC METAL COMPLEX, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2013-10-17 US 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-20130270541-A1 IMIDAZOLE COMPOUND PRODUCTION METHOD, IMIDAZOLE COMPOUND, IMIDAZOLE-BASED COMPOUND, ORGANIC METAL COMPLEX, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE NFXL1, NFE2L2, ZC3HAV1L ESR1 524/4885ESR2 873/4885KDM4E 825/4885

“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.