SCHEMBL4066028

SCHEMBL4066028

Oc1cccc2nc(CCl)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
RECQL P46063 1/20 0.40
ACHE P22303 1/20 0.39
RAB9A P51151 4/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 3/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NQO2 P16083 1/20 0.35
AR P10275 1/20 0.35
PKM P14618 2/20 0.35
HTT P42858 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
AURKA O14965 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
GUSB P08236 2/20 0.34

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
SCHEMBL9533110 0.84 TDP1 (0.41) KDM4EACHERAB9ALMNAGAA
SCHEMBL10397232 0.79 PARP1 (0.44) KDM4ESMN1; SMN2MAPTPDE10A
SCHEMBL4061485 0.79 RAB9A (0.43) KDM4ERECQLRAB9ALMNASMN1; SMN2
SCHEMBL4062828 0.79 SMN1; SMN2 (0.40) KDM4ERAB9ALMNASMN1; SMN2GAA
SCHEMBL4068225 0.79 NOS1 (0.38) KDM4ERECQLRAB9ALMNASMN1; SMN2
SCHEMBL10634839 0.78 ACHE (0.36) KDM4EACHERAB9ALMNAGAA
SCHEMBL11195012 0.78 PARP1 (0.43) KDM4ERECQLRAB9ALMNASMN1; SMN2
SCHEMBL9540475 0.78 GAA (0.58) KDM4EGAAMAPTKMT2APKM
Hydrochloric Acid SCHEMBL18765222 0.77 RAB9A (0.42) KDM4ERECQLRAB9ALMNASMN1; SMN2
SCHEMBL6795421 0.77 GAA (0.57) RAB9ALMNAGAAMAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 3562/4885ACHE 4621/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 KDM4E 4665/4885RECQL 4179/4885ACHE 4621/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 KDM4E 4709/4885RECQL 3562/4885ACHE 4621/4885

“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.