SCHEMBL12014607

SCHEMBL12014607

c1ccc(-c2nc(-c3c4ccccc4c(-c4ccncc4)c4ccccc34)nc(-c3cc4c5ccccc5ccc4c4ccccc34)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.42
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 1/20 0.39
RECQL P46063 2/20 0.38
CYP11B1 P15538 1/20 0.38
POLB P06746 3/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CFTR P13569 1/20 0.37
CYP1B1 Q16678 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TGFBR1 P36897 1/20 0.36
MAPK14 Q16539 1/20 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
SCHEMBL12014657 0.93 MAPT (0.42) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL12014510 0.87 MAPT (0.42) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL12014503 0.86 KDM4E (0.47) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL12014515 0.85 MAPT (0.41) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL19271418 0.85 HPRT1 (0.50) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL19168408 0.84 SOS1 (0.43) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL19167515 0.84 HSD17B1 (0.44) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL12014618 0.84 MAPT (0.40) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL12014504 0.84 HSD17B10 (0.42) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL17995351 0.83 HPRT1 (0.48) MAPTKDM4EALDH1A1HPGDLMNA

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
US-20120217449-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-08-30 US disclosed
US-20120217449-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-08-30 US disclosed
WO-2011054442-A2 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-05-12 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-20120217449-A1 MATERIALS FOR ELECTRONIC DEVICES EFNA1, DDT, ERCC1 MAPT 1295/4885KDM4E 3591/4885ALDH1A1 261/4885

“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.