SCHEMBL12777084

SCHEMBL12777084

[C-]#[N+]c1ccc(-c2cc(-c3nc4ccccc4o3)c3ccc4c(-c5ccc(C#N)cc5)ccc5ccc2c3c54)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.38
▸ KDM4E B2RXH2 7/20 0.38
▸ ALDH1A1 P00352 7/20 0.38
▸ HPGD P15428 7/20 0.38
▸ RAB9A P51151 7/20 0.38
▸ MAPT P10636 6/20 0.38
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ TP53 P04637 4/20 0.38
▸ PKM P14618 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ USP2 O75604 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.36
▸ PTGS2 P35354 3/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34

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
SCHEMBL12844736 0.92 NPC1 (0.43) NPC1KDM4EALDH1A1HPGDRAB9A
SCHEMBL12777054 0.86 HDAC6 (0.37) NPC1RAB9AHDAC6HSPD1PTPN2
SCHEMBL10260097 0.81 KDM1A (0.37) NPC1RAB9AMEN1KMT2A
SCHEMBL10260893 0.79 CA1 (0.36) KDM4EALDH1A1
SCHEMBL10260599 0.79 SLC22A12 (0.34) —
SCHEMBL12380352 0.78 ALDH1A1 (0.45) NPC1KDM4EALDH1A1HPGDRAB9A
SCHEMBL2296437 0.78 KDM4E (0.51) NPC1KDM4EALDH1A1HPGDRAB9A
SCHEMBL10267599 0.78 PIM1 (0.36) HDAC6
SCHEMBL10261695 0.77 PDPK1 (0.35) ALDH1A1HPGDHSD17B10HDAC6
SCHEMBL13170847 0.77 KDM1A (0.37) NPC1RAB9AMEN1KMT2A

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-7901794-B2 Material for light-emitting element and light emitting element TORAY INDUSTRIES, INC. (JP) 2011-03-08 — — US disclosed
US-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2009-03-12 — — 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-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT PYM1, CRY1, S100A10 NPC1 2742/4885KDM4E 1639/4885ALDH1A1 2046/4885

“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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