SCHEMBL12637448

SCHEMBL12637448

CN(C)c1nc2c(-c3ccccc3C(F)(F)F)cccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 6/20 0.44
▸ CYP3A4 P08684 5/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ TSHR P16473 3/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CYP2D6 P10635 5/20 0.42
▸ CLK4 Q9HAZ1 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ACP1 P24666 1/20 0.41
▸ HSD11B1 P28845 3/20 0.38
▸ TRPA1 O75762 2/20 0.37
▸ C1R P00736 1/20 0.37
▸ NOTUM Q6P988 2/20 0.37
▸ PSMB8 P28062 1/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ CYP2C19 P33261 5/20 0.36

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
SCHEMBL12637439 0.80 ENPP1 (0.41) CYP1A2CYP3A4HSD17B10TDP1CYP2D6
SCHEMBL29878574 0.78 TRPA1 (0.40) CYP1A2CYP3A4MAPK1TSHRALOX15
SCHEMBL12637437 0.75 TOP2A (0.40) ALDH1A1HTR3A
SCHEMBL12637441 0.74 CMKLR1 (0.38) HTR3A
SCHEMBL12637442 0.73 TOP2A (0.38) TDP1CLK4PSMB8ALDH1A1HTR3A
SCHEMBL12637440 0.72 GSTP1 (0.39) CYP1A2CYP3A4TSHRHSD17B10CLK4
SCHEMBL12637462 0.69 CYP1A2 (0.44) CYP1A2CYP3A4MAPK1TSHRALOX15
SCHEMBL12637427 0.69 NOTUM (0.47) CYP1A2CYP3A4MAPK1TSHRALOX15
SCHEMBL26375286 0.67 ELANE (0.42) HSD11B1NOTUMALDH1A1
SCHEMBL12637460 0.67 HTR3A (0.32) HTR3A

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
US-7939669-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-05-10 — — US disclosed
US-7939669-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-05-10 — — US disclosed
US-20090306395-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SAMSUNG ELECTRONICS CO., LTD., (KR) 2009-12-10 — — US disclosed
US-20090306395-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SAMSUNG ELECTRONICS CO., LTD., (KR) 2009-12-10 — — 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-20090306395-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SCO2, RPS4Y1, RER1 CYP1A2 1320/4885CYP3A4 2550/4885MAPK1 272/4885

“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.

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