SCHEMBL20068878

SCHEMBL20068878

Clc1ccccc1-c1ccc(-c2ccc(-c3ccccc3Cl)cn2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP7 Q93009 1/20 0.53
▸ CYP2A6 P11509 1/20 0.52
▸ CNR2 P34972 1/20 0.51
▸ ALOX5AP P20292 1/20 0.49
▸ FEN1 P39748 1/20 0.49
▸ SCN9A Q15858 2/20 0.49
▸ EGLN1 Q9GZT9 2/20 0.48
▸ IDO1 P14902 1/20 0.46
▸ TRPA1 O75762 1/20 0.45
▸ MAP4K4 O95819 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ DEGS1 O15121 1/20 0.43
▸ MAOB P27338 2/20 0.43
▸ PDK2 Q15119 1/20 0.42
▸ EGLN3 Q9H6Z9 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ TP53 P04637 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
SCHEMBL10896655 0.83 USP7 (0.53) USP7CYP2A6CNR2ALOX5APFEN1
SCHEMBL24105871 0.82 HSD17B1 (0.69) USP7CYP2A6CNR2ALOX5APFEN1
SCHEMBL10264753 0.80 USP7 (0.50) USP7CYP2A6CNR2EGLN1TRPA1
SCHEMBL1915601 0.80 USP7 (0.58) USP7CYP2A6CNR2ALOX5APFEN1
SCHEMBL11477196 0.79 USP7 (0.53) USP7CYP2A6CNR2ALOX5APFEN1
SCHEMBL10899864 0.78 CYP2A6 (0.56) USP7CYP2A6CNR2ALOX5APFEN1
SCHEMBL20068775 0.78 CYP2A6 (0.56) USP7CYP2A6CNR2ALOX5APFEN1
SCHEMBL13798015 0.77 USP7 (0.48) USP7CYP2A6CNR2ALOX5APFEN1
SCHEMBL10939627 0.77 CYP2A6 (0.54) USP7CYP2A6CNR2ALOX5APFEN1
SCHEMBL2609338 0.76 USP7 (0.47) USP7CYP2A6CNR2ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3526227-B1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-06-03 — — EP disclosed
US-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-02-13 — — US disclosed
WO-2018069196-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-04-19 — — WO 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-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES BICRA, NCLN, IMMT USP7 4590/4885CYP2A6 4527/4885CNR2 4658/4885

“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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