SCHEMBL4065081

SCHEMBL4065081

O=C(c1ccccc1)c1ccc2[nH]c(CCl)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
RECQL P46063 1/20 0.51
ABL1 P00519 4/20 0.50
ALDH1A1 P00352 3/20 0.50
RAB9A P51151 3/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
FABP6 P51161 1/20 0.50
HTT P42858 2/20 0.46
CYP1A2 P05177 2/20 0.46
ABCC4 O15439 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
CYP2C9 P11712 1/20 0.46
KDR P35968 1/20 0.46
HIF1A Q16665 1/20 0.46
SCD O00767 1/20 0.45
NPC1 O15118 1/20 0.45
ESR1 P03372 1/20 0.44

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
SCHEMBL4065084 0.89 ABL1 (0.64) KDM4EABL1ALDH1A1RAB9AHPGD
SCHEMBL4345082 0.87 NPSR1 (0.56) KDM4EABL1ALDH1A1RAB9AHPGD
SCHEMBL6092621 0.85 KDM4E (0.68) KDM4ERECQLALDH1A1RAB9AHPGD
Hydrochloric Acid SCHEMBL28877037 0.84 KDM4E (0.66) KDM4ERECQLALDH1A1RAB9AHPGD
SCHEMBL7996355 0.84 SMN1; SMN2 (0.51) KDM4EABL1ALDH1A1RAB9AHPGD
SCHEMBL11119875 0.83 ALDH1A1 (0.47) KDM4EABL1ALDH1A1RAB9AHPGD
SCHEMBL7406230 0.81 F10 (0.64) ABL1FABP6
SCHEMBL416899 0.78 ABL1 (0.78) KDM4EABL1ALDH1A1RAB9AHPGD
SCHEMBL1108966 0.78 ALDH1A1 (0.78) KDM4EABL1ALDH1A1RAB9AHPGD
SCHEMBL10466050 0.78 ALDH1A1 (0.54) KDM4EABL1ALDH1A1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0301422-A2 Thiomethyl and sulfinylmethyl derivatives having gastric acid antisecretory activity, processes for the preparation thereof and pharmaceutical compositions containing them CHIESI FARMACEUTICI S.p.A. (IT) 1989-02-01 EP claimed
EP-1317445-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-03-11 EP disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 US disclosed
US-7084155-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2006-08-01 US disclosed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 US disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 US disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 US disclosed
CN-1457339-A Chemokine receptor binding heterocyclic compounds ANORMED INC (CA) 2003-11-19 CN disclosed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 US disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 WO disclosed
US-5066652-A ANTIULCER AGENTS CHIESI FARMACEUTICI S.P.A. (IT) 1991-11-19 US disclosed
EP-0301422-A2 Thiomethyl and sulfinylmethyl derivatives having gastric acid antisecretory activity, processes for the preparation thereof and pharmaceutical compositions containing them CHIESI FARMACEUTICI S.p.A. (IT) 1989-02-01 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 (3 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-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 KDM4E 4709/4885RECQL 3562/4885ABL1 2316/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 KDM4E 4665/4885RECQL 4179/4885ABL1 1553/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 KDM4E 4709/4885RECQL 3562/4885ABL1 2316/4885

“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.