SCHEMBL16315797

SCHEMBL16315797

C/N=C/C=C\C=C(/C)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ NAPRT Q6XQN6 1/20 0.39
▸ P4HTM Q9NXG6 1/20 0.39
▸ TOP2A P11388 2/20 0.38
▸ RAB9A P51151 8/20 0.38
▸ NPC1 O15118 6/20 0.38
▸ MAPT P10636 6/20 0.38
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ GAA P10253 5/20 0.38
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 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
SCHEMBL13363919 0.81 ALDH1A1 (0.47) KDM4EALDH1A1CES2CES1L3MBTL1
SCHEMBL21279978 0.81 ALDH1A1 (0.50) KDM4EALDH1A1CES2CES1L3MBTL1
SCHEMBL20824986 0.81 ALDH1A1 (0.50) KDM4EALDH1A1CES2CES1L3MBTL1
SCHEMBL19480611 0.77 ALDH1A1 (0.53) KDM4EALDH1A1CES2CES1L3MBTL1
SCHEMBL19681854 0.77 ALDH1A1 (0.46) KDM4EALDH1A1CES2CES1L3MBTL1
SCHEMBL18410851 0.75 ALDH1A1 (0.52) KDM4EALDH1A1CES2CES1L3MBTL1
SCHEMBL2554971 0.75 ALDH1A1 (0.57) KDM4EALDH1A1CES2CES1L3MBTL1
SCHEMBL10465175 0.75 ALDH1A1 (0.52) KDM4EALDH1A1CES2CES1L3MBTL1
SCHEMBL19039480 0.75 ALDH1A1 (0.52) KDM4EALDH1A1CES2CES1L3MBTL1
SCHEMBL2554972 0.75 ALDH1A1 (0.57) KDM4EALDH1A1CES2CES1L3MBTL1

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-2555270-B1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME IDEMITSU KOSAN CO (JP) 2015-05-13 — — EP disclosed
US-8288544-B2 Electrochemical affinity biosensor system and methods ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2012-10-16 — — US disclosed
US-20070054317-A1 Electrochemical affinity biosensor system and methods ROCHE DIAGNOSTICS OPERATIONS, INC. 2007-03-08 — — 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-20070054317-A1 Electrochemical affinity biosensor system and methods SIGLEC7, FCGR3B, FCER2 KDM4E 4121/4885ALDH1A1 1343/4885CES2 2375/4885

“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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