SCHEMBL14829065

SCHEMBL14829065

Clc1nc2ncc(Br)cc2n2cccc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.38
PTPN1 P18031 4/20 0.38
HRH3 Q9Y5N1 2/20 0.37
TP53 P04637 1/20 0.37
MET P08581 1/20 0.37
ESR1 P03372 1/20 0.35
HTR3A P46098 1/20 0.35
OPRM1 P35372 1/20 0.33
RAD51 Q06609 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
PTPN2 P17706 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL14828770 0.70 HRH4 (0.71) HRH4HRH3HTR3A
SCHEMBL7401133 0.69 PTPN1 (0.54) PTPN1HTR3ARAD51KDM4EALDH1A1
SCHEMBL14829327 0.68 RAD51 (0.38) HRH4TP53METESR1RAD51
SCHEMBL8569855 0.67 PTPN1 (0.61) PTPN1HTR3ARAD51KDM4EALDH1A1
SCHEMBL8567409 0.67 HTR3E (0.38) PTPN1HTR3AKDM4EALDH1A1HPGD
SCHEMBL14828842 0.67 TP53 (0.55) TP53METHSD17B10
SCHEMBL7400768 0.67 HTR3E (0.57) PTPN1HTR3ARAD51KDM4EALDH1A1
SCHEMBL13082235 0.67 RAD51 (0.51) PTPN1HTR3ARAD51KDM4EALDH1A1
SCHEMBL1079670 0.67 RAD51 (0.58) PTPN1HTR3ARAD51KDM4EALDH1A1
SCHEMBL19019537 0.66 ESR1 (0.51) METESR1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3461825-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C Research Laboratories (KR) 2019-04-03 EP disclosed
EP-2760865-B1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RES LAB (KR) 2018-07-11 EP disclosed
US-9586959-B2 Substituted tricyclic heterocycles as histamine 4 receptor inhibitors C&C RESEARCH LABORATORIES (KR) 2017-03-07 US disclosed
US-20140315888-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RESEARCH LABORATORIES (KR) 2014-10-23 US disclosed
EP-2760865-A2 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C Research Laboratories (KR) 2014-08-06 EP disclosed
WO-2013048214-A2 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RESEARCH LABORATORIES (KR) 2013-04-04 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-20140315888-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES HRH4, HRH2, HRH1 HRH4 1/4885PTPN1 3490/4885HRH3 4/4885

“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.