SCHEMBL12334186

SCHEMBL12334186

COC(=O)c1ccccc1Nc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ SIRT2 Q8IXJ6 1/20 0.49
▸ KDM4E B2RXH2 4/20 0.46
▸ POLB P06746 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ NR4A2 P43354 4/20 0.44
▸ SRC P12931 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ AURKA O14965 1/20 0.43
▸ MYC P01106 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ GLA P06280 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL12333415 0.91 MAPT (0.55) MAPTALOX15SIRT2KDM4EPOLB
SCHEMBL12109319 0.85 MAPT (0.81) MAPTALOX15SIRT2KDM4EPOLB
SCHEMBL28649151 0.82 MAPT (0.81) MAPTALOX15SIRT2KDM4EPOLB
SCHEMBL13224505 0.81 MAPT (0.89) MAPTALOX15SIRT2KDM4EPOLB
SCHEMBL12109338 0.79 MAPT (0.69) MAPTALOX15SIRT2KDM4EPOLB
SCHEMBL1301699 0.79 MAPT (0.69) MAPTALOX15SIRT2KDM4EPOLB
SCHEMBL783331 0.78 MAPT (0.57) MAPTALOX15SIRT2KDM4EPOLB
SCHEMBL2787546 0.78 MAPT (0.56) MAPTALOX15SIRT2KDM4EPOLB
SCHEMBL13895944 0.77 NR4A2 (0.60) MAPTALOX15KDM4EPOLBATM
SCHEMBL21763341 0.76 HDAC4 (0.34) MAPTALOX15SIRT2KDM4EATM

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-20170155062-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-06-01 — — US disclosed
US-20120319052-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-12-20 — — US disclosed
US-20120319052-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-12-20 — — US disclosed
WO-2011107186-A2 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-09-09 — — 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 (2 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-20170155062-A1 COMPOUNDS FOR ELECTRONIC DEVICES CYP1B1, CYP1A1, CYP2E1 MAPT 2304/4885ALOX15 1353/4885SIRT2 1114/4885
US-20120319052-A1 COMPOUNDS FOR ELECTRONIC DEVICES CYP1B1, CYP1A1, CYP2E1 MAPT 2304/4885ALOX15 1353/4885SIRT2 1114/4885

“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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