SCHEMBL406065

SCHEMBL406065

Cc1ccc2nc(Cl)c3nn(C)cc3c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
ADORA2A P29274 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA1 P30542 1/20 0.36
ELANE P08246 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NR1I2 O75469 1/20 0.36
AHR P35869 1/20 0.36
MAOA P21397 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
NQO2 P16083 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ACHE P22303 2/20 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
SCHEMBL406003 0.86 ADORA2A (0.47) KDM4EALDH1A1MAPTRAB9AADORA2A
SCHEMBL462751 0.80 ADORA3 (0.42) KDM4EADORA2AADORA3
SCHEMBL17083434 0.80 MAOA (0.46) KDM4ERAB9AADORA2AADORA3ADORA1
SCHEMBL405909 0.75 HRH4 (0.57) KDM4EALDH1A1RAB9AHRH4ACHE
SCHEMBL10733904 0.75 LMNA (0.47) LMNAKDM4EALDH1A1MAPTMAPK1
SCHEMBL405326 0.73 HTR6 (0.48) HRH4RAD52
SCHEMBL10729243 0.72 LMNA (0.44) LMNAKDM4EALDH1A1MAPTMAPK1
SCHEMBL406452 0.71 LMNA (0.46) LMNAKDM4EALDH1A1MAPTMAPK1
SCHEMBL15650530 0.71 LMNA (0.46) LMNAKDM4EALDH1A1MAPTMAPK1
SCHEMBL9593290 0.70 LMNA (0.62) LMNAKDM4EALDH1A1MAPTELANE

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 4599/4885KDM4E 1897/4885ALDH1A1 1909/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 LMNA 4599/4885KDM4E 1897/4885ALDH1A1 1909/4885

“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.