SCHEMBL12895938

SCHEMBL12895938

CCCCCCCCn1c(=O)c2cc3c(C#N)c4cc5c(=O)n(C)c(=O)c5cc4c(C#N)c3cc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ TDP1 Q9NUW8 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 5/20 0.42
▸ USP2 O75604 1/20 0.42
▸ PGR P06401 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ HSD17B10 Q99714 4/20 0.39
▸ GAA P10253 4/20 0.39
▸ CASP1 P29466 3/20 0.39
▸ CASP7 P55210 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ GLA P06280 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ SAE1 Q9UBE0 1/20 0.39
▸ UBA2 Q9UBT2 1/20 0.39
▸ TNF P01375 1/20 0.38
▸ ADORA2B P29275 1/20 0.38

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
SCHEMBL1263915 0.96 MAPT (0.55) MAPTMEN1KMT2ATDP1L3MBTL1
SCHEMBL12246385 0.88 TDP1 (0.53) MAPTMEN1KMT2ATDP1L3MBTL1
SCHEMBL13744749 0.88 TDP1 (0.53) MAPTMEN1KMT2ATDP1L3MBTL1
SCHEMBL25473109 0.88 TDP1 (0.53) MAPTMEN1KMT2ATDP1L3MBTL1
SCHEMBL10556725 0.83 TDP1 (0.58) MAPTMEN1KMT2ATDP1L3MBTL1
SCHEMBL10554618 0.83 TDP1 (0.58) MAPTMEN1KMT2ATDP1L3MBTL1
SCHEMBL14513784 0.81 TDP1 (0.61) TDP1L3MBTL1PGRALDH1A1GAA
SCHEMBL18211041 0.81 TDP1 (0.56) MAPTMEN1KMT2ATDP1L3MBTL1
SCHEMBL18211042 0.81 TDP1 (0.56) MAPTMEN1KMT2ATDP1L3MBTL1
SCHEMBL12895974 0.81 KDM4E (0.41) MAPTMEN1KMT2AL3MBTL1KDM4E

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-7892454-B2 Such as 2,3:6,7-anthracenedicarboximide derivatives; air stability, solution processability; n type; organic thin film transistors, light emitting diodes and photovoltaic devices; long lasting POLYERA CORPORATION (US) 2011-02-22 — — US disclosed
US-20080185555-A1 Acene-based organic semiconductor materials and methods of preparing and using the same USINVEST LLC 2008-08-07 — — 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-20080185555-A1 Acene-based organic semiconductor materials and methods of preparing and using the same ACE, ACE2, AGT MAPT 2518/4885MEN1 1124/4885KMT2A 1683/4885

“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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