SCHEMBL4368469

SCHEMBL4368469

Clc1ccc(Cl)c(-c2nc(Cl)nc(Cl)n2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.66
PDE4D Q08499 1/20 0.66
ALDH1A1 P00352 4/20 0.46
RXFP1 Q9HBX9 1/20 0.46
PTPN11 Q06124 2/20 0.44
RAB9A P51151 1/20 0.44
DUSP3 P51452 1/20 0.44
IDO1 P14902 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
TP53 P04637 3/20 0.42
ADORA3 P0DMS8 2/20 0.40
AGPAT2 O15120 1/20 0.39
ADORA1 P30542 1/20 0.39
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.37
S100A4 P26447 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL29518008 1.00 HTR2B (0.66) HTR2BPDE4DALDH1A1RXFP1PTPN11
SCHEMBL8412370 0.87 HTR2B (0.83) HTR2BPDE4DALDH1A1RXFP1RAB9A
SCHEMBL10642190 0.83 AHR (0.47) HTR2BPDE4DALDH1A1RAB9ATP53
SCHEMBL4359675 0.79 AGPAT2 (0.48) HTR2BPDE4DALDH1A1RAB9AIDO1
Irsogladine SCHEMBL62215 0.79 HTR2B (1.00) HTR2BPDE4DALDH1A1RXFP1RAB9A
Irsogladine SCHEMBL29517870 0.79 HTR2B (1.00) HTR2BPDE4DALDH1A1RXFP1RAB9A
SCHEMBL19937094 0.76 HTR2B (0.58) HTR2BPDE4DALDH1A1RXFP1PTPN11
SCHEMBL29364307 0.75 TP53 (0.61) HTR2BPDE4DALDH1A1RXFP1PTPN11
SCHEMBL440944 0.75 TP53 (0.61) HTR2BPDE4DALDH1A1RXFP1PTPN11
SCHEMBL19937092 0.75 HTR2B (0.56) HTR2BPDE4DALDH1A1TP53ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478414-A Novel synthesis process method of gastric mucosa protective medicine 苏州虞美景盛新药开发有限公司 2022-05-13 CN disclosed
US-7618968-B2 Aryl triazines as LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2009-11-17 US disclosed
US-20080064700-A1 Aryl triazines as LPAAT-beta inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2008-03-13 US disclosed
US-7291616-B2 Aryl triazines as LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2007-11-06 US disclosed
US-20030153570-A1 Aryl triazines as LPAAT-SS inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2003-08-14 US disclosed
WO-2003037346-A1 6-PHENYL-N-PHENYL-(1,3,5) -TRIAZINE-2,4-DIAMINE DERIVATIVES AND RELATED COMPOUNDS WITH LYSOPHPHOSPHATIDIC ACID ACYLTRANSFERASE BETA (LPAAT-BETA) INHIBITORY ACTIVITY FOR USE IN THE TREATMENT OF CANCER CELL THERAPEUTICS, INC. (US) 2003-05-08 WO disclosed
EP-0066799-B1 NICOTINIC ACID DERIVATIVES NIPPON SHINYAKU COMPANY, LIMITED (JP) 1986-01-02 EP disclosed
US-4415570-A TREATMENT FOR RHEMATIC DISEASES AND ALLERGIC NEPHRYTIS; UROGENITAL DISORDERS NIPPON SHINYAKU CO. LTD. (JP) 1983-11-15 US disclosed
EP-0066799-A2 Nicotinic acid derivatives NIPPON SHINYAKU COMPANY, LIMITED (JP) 1982-12-15 EP 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-20030153570-A1 Aryl triazines as LPAAT-SS inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 HTR2B 2836/4885PDE4D 1977/4885ALDH1A1 1286/4885
US-20080064700-A1 Aryl triazines as LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 HTR2B 2043/4885PDE4D 1187/4885ALDH1A1 827/4885

“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.