SCHEMBL31748705

SCHEMBL31748705

CC(C)(C#N)c1cc(-c2ccccc2)ncc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.37
▸ LDHA P00338 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KDM4E B2RXH2 5/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ NCOA2 Q15596 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ IDO1 P14902 2/20 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
SCHEMBL31748581 0.79 LDHA (0.37) LDHAKDM4EALDH1A1MEN1KMT2A
SCHEMBL31748343 0.77 LDHA (0.40) LDHAKDM4EALDH1A1MEN1KMT2A
SCHEMBL31635745 0.72 LDHA (0.41) LDHAJAK2ROCK2PRKCQPRKCD
SCHEMBL18788565 0.71 NPC1 (0.47) LDHANPC1GSK3AGSK3BRAB9A
SCHEMBL26433622 0.71 NPC1 (0.47) LDHAMAPK1ALDH1A1NPC1GSK3A
SCHEMBL21702881 0.71 LDHA (0.45) LDHAKDM4EALDH1A1MEN1KMT2A
SCHEMBL15420845 0.71 LDHA (0.57) L3MBTL1LDHAKDM4EALDH1A1MEN1
SCHEMBL19781098 0.70 MAPK1 (0.46) L3MBTL1LDHAMAPK1KDM4EALDH1A1
SCHEMBL22080319 0.68 LDHA (0.42) LDHAKDM4EALDH1A1MEN1KMT2A
SCHEMBL20272726 0.68 LDHA (0.42) LDHAKDM4EALDH1A1MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250393389-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2025-12-25 — — 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-20250393389-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LBR, LDLR, LIFR L3MBTL1 359/4885LDHA 254/4885MAPK1 2753/4885

“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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