SCHEMBL2464693

SCHEMBL2464693

Clc1ccc2nc(N3CCNCC3)n3nc(Cc4cccs4)nc3c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.45
LMNA P02545 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 1/20 0.45
S1PR2 O95136 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HRH4 Q9H3N8 4/20 0.43
HRH1 P35367 1/20 0.43
ALDH1A1 P00352 6/20 0.43
CYP1A2 P05177 6/20 0.43
CYP3A4 P08684 6/20 0.43
USP2 O75604 4/20 0.43
CASP7 P55210 4/20 0.43
HSD17B10 Q99714 4/20 0.43
TP53 P04637 3/20 0.43
CYP2C9 P11712 3/20 0.43
CASP1 P29466 3/20 0.43
CYP2C19 P33261 3/20 0.43
MEN1 O00255 2/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL2528617 0.89 HRH4 (0.56) KDM4ENPSR1HRH4HRH1ALDH1A1
SCHEMBL406218 0.86 CETP (0.50) HIF1ALMNAKMT2AKDM4ES1PR2
SCHEMBL2465829 0.83 HRH4 (0.42) HIF1ALMNAKMT2AKDM4ES1PR2
SCHEMBL406205 0.82 HRH4 (0.48) HIF1ALMNAKMT2AKDM4ES1PR2
SCHEMBL406130 0.77 HRH4 (0.66) HIF1ALMNAKMT2AKDM4ES1PR2
SCHEMBL404858 0.76 HRH4 (0.51) KDM4ENPSR1HRH4ALDH1A1USP2
SCHEMBL406178 0.74 HRH4 (0.51) HIF1ALMNAKMT2AKDM4ES1PR2
SCHEMBL406114 0.73 HRH4 (0.50) KDM4ENPSR1HRH4HRH1ALDH1A1
SCHEMBL2531177 0.72 HRH4 (0.54) KDM4ENPSR1HRH4HRH1ALDH1A1
SCHEMBL404537 0.72 HRH4 (0.49) HIF1ALMNAKMT2AKDM4ES1PR2

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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO 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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HIF1A 1011/4885LMNA 4599/4885KMT2A 751/4885

“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.