SCHEMBL2528607

SCHEMBL2528607

Cc1cc(Cl)cc2c1nc(N1CCNCC1)c1nncn12

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 16/20 0.65
HRH3 Q9Y5N1 4/20 0.51
HTR3A P46098 1/20 0.50
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 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
SCHEMBL12225202 0.88 HRH4 (0.56) HRH4HRH3KMT2AHPGDHSD17B10
SCHEMBL12224745 0.88 HRH4 (0.67) HRH4HRH3HTR3AKMT2AKDM4E
SCHEMBL2467126 0.87 HRH4 (0.67) HRH4HRH3HTR3AKMT2AKDM4E
SCHEMBL405699 0.86 HRH4 (0.65) HRH4HRH3HTR3AKMT2AKDM4E
Hydrochloric Acid SCHEMBL442804 0.85 HRH4 (0.64) HRH4HRH3HTR3AKMT2AKDM4E
SCHEMBL2470171 0.84 HRH4 (0.53) HRH4HRH3KMT2AHPGDHSD17B10
SCHEMBL405875 0.80 HRH4 (0.61) HRH4HRH3KMT2AKDM4EALDH1A1
SCHEMBL405910 0.80 HRH4 (0.65) HRH4HRH3KMT2AKDM4EALDH1A1
SCHEMBL2465318 0.80 HRH4 (0.49) HRH4HRH3KMT2AKDM4EHTT
SCHEMBL404516 0.80 HRH4 (0.74) HRH4HRH3KMT2AKDM4EALDH1A1

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
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

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 HRH4 1/4885HRH3 2/4885HTR3A 153/4885

“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.