SCHEMBL7652337

SCHEMBL7652337

O=c1nc(-c2ccccc2)[nH]n1-c1ccccc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MGLL Q99685 1/20 0.42
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
TYMP P19971 1/20 0.38
HCAR1 Q9BXC0 4/20 0.38
LMNA P02545 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
BTK Q06187 1/20 0.35

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
SCHEMBL7654354 0.81 MEN1 (0.44) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL7650494 0.81 KDM4E (0.45) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL7652870 0.81 KDM4E (0.44) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL7654106 0.80 MGLL (0.44) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL7650665 0.78 KDM4E (0.64) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL7657337 0.78 MGLL (0.46) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL7649185 0.74 MAPT (0.43) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL7651292 0.74 GABRA1 (0.43) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL7654427 0.72 KDM4E (0.60) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL7652940 0.72 KDM4E (0.51) KDM4EMEN1KMT2AHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492407-B2 NEUROPROTECTIVE ACTIVITY BOEHRINGER IMGELHEIM PHARMA KG (DE) 2002-12-10 US claimed
US-20020045651-A1 Pharmaceutical compositions containing triazolones and methods of treating neurodegenerative disease using triazolones BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-18 US claimed
US-6492407-B2 NEUROPROTECTIVE ACTIVITY BOEHRINGER IMGELHEIM PHARMA KG (DE) 2002-12-10 US disclosed
US-20020045651-A1 Pharmaceutical compositions containing triazolones and methods of treating neurodegenerative disease using triazolones BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-18 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-20020045651-A1 Pharmaceutical compositions containing triazolones and methods of treating neurodegenerative disease using triazolones PARK7, IAPP, HIF1AN KDM4E 4634/4885MEN1 3193/4885KMT2A 3684/4885

“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.