SCHEMBL406452

SCHEMBL406452

Cc1ccc2nc(Cl)c3nocc3c2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
ELANE P08246 2/20 0.41
MAOA P21397 1/20 0.37
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ACHE P22303 4/20 0.36
BCHE P06276 3/20 0.36
GRIN1 Q05586 3/20 0.36
GRIN2A Q12879 3/20 0.36
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
PKM P14618 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
SCHEMBL405106 0.84 ALDH1A1 (0.41) LMNAMAPTKDM4EALDH1A1KMT2A
SCHEMBL406373 0.81 HTT (0.44) MAPTKMT2AACHEBCHEGRIN1
SCHEMBL12246130 0.78 DHODH (0.38) KDM4E
SCHEMBL462600 0.78
SCHEMBL406787 0.74 POLB (0.41) LMNAMAPTKMT2AACHEBCHE
SCHEMBL406369 0.73 HRH4 (0.56) KDM4EALDH1A1ACHERAB9A
SCHEMBL405426 0.72 ACHE (0.36) ACHEHTT
SCHEMBL15650530 0.72 LMNA (0.46) LMNAMAPTKDM4EALDH1A1ELANE
SCHEMBL406372 0.72 HTR6 (0.51) LMNAMAPTCYP3A4
SCHEMBL406065 0.71 LMNA (0.45) LMNAMAPTKDM4EALDH1A1ELANE

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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 LMNA 4599/4885MAPT 2336/4885KDM4E 1897/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 LMNA 4599/4885MAPT 2336/4885KDM4E 1897/4885

“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.