SCHEMBL25137331

SCHEMBL25137331

COC(=C(C#N)C#N)N(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.35
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 2/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL25137367 0.69 L3MBTL1 (0.42) RECQLMAPTPKMRAB9AKMT2A
SCHEMBL1437488 0.65 ALDH1A1 (0.31) GAAALDH1A1KDM4EHTT
SCHEMBL25137362 0.65 RAB9A (0.36) RAB9AKMT2ASMN1; SMN2GAA
SCHEMBL7777949 0.63 RAB9A (0.31) RAB9AKMT2ASMN1; SMN2GAAL3MBTL1
SCHEMBL13265988 0.63
SCHEMBL1716681 0.63
SCHEMBL6100549 0.63 TDP1 (0.35) RAB9AKMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL20214069 0.61 RAB9A (0.33) RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL11609722 0.61 KMT2A (0.43) MAPTRAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL15669534 0.61

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-20240074301-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-02-29 US disclosed
US-20230120996-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-04-20 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 (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-20240074301-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES ICOSLG, OCIAD2, OSBP RECQL 2967/4885MAPT 1707/4885PKM 1826/4885
US-20230120996-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES ICOSLG, OCIAD2, OSBP RECQL 2967/4885MAPT 1707/4885PKM 1826/4885

“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.