SCHEMBL2824419

SCHEMBL2824419

NNC(=O)Cn1cnnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ PKM P14618 1/20 0.42
▸ KDM5C P41229 1/20 0.39
▸ PHF8 Q9UPP1 1/20 0.39
▸ KDM2A Q9Y2K7 1/20 0.39
▸ PLAA Q9Y263 1/20 0.38
▸ ALPG P10696 1/20 0.37
▸ CTSD P07339 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ MPO P05164 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL2824892 0.75 ALDH1A1 (0.66) KDM4EALDH1A1PLAAALPGCYP19A1
SCHEMBL18839708 0.74 HPGD (0.48) KDM4EALDH1A1KDM5CPHF8KDM2A
SCHEMBL11196216 0.72 PLAA (0.44) ALDH1A1PLAAALPGESR1CYP19A1
SCHEMBL316289 0.71 ALDH1A1 (0.49) ALDH1A1PKMALPGKMT2AMEN1
SCHEMBL2825186 0.68 KMT2A (0.41) KDM4ENPC1ALDH1A1PKMKDM5C
SCHEMBL2825103 0.68 CYP1A2 (0.53) KDM4EKMT2AMEN1GAA
SCHEMBL315512 0.68 KDM4E (0.42) KDM4ENPC1ALDH1A1PKMKDM5C
SCHEMBL20518648 0.68 KDM4E (0.39) KDM4ENPC1ALDH1A1PKMKDM5C
SCHEMBL18839855 0.67 ALDH1A1 (0.40) KDM4ENPC1ALDH1A1PKMKDM5C
SCHEMBL2825206 0.67 FOLH1 (0.38) KDM4ENPC1ALDH1A1PKMMPO

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-1937688-B1 IMIDAZO BENZODIAZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-08-11 — — EP disclosed
US-7507729-B2 for the treatment of cognitive disorders, anxiety, schizophrenia, and Alzheimer's disease; ligands; GABA A alpha 5 receptor inhibitors; 3-bromo-10-chloro-6-(2-oxo-pyrrolidin-1-ylmethyl)-9H-imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine HOFFMANN-LA ROCHE INC. (US) 2009-03-24 — — US disclosed
US-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2007-04-12 — — 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-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives GABRA5, GABRA1, GABRA4 KDM4E 1207/4885NPC1 680/4885ALDH1A1 313/4885

“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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