SCHEMBL6310424

SCHEMBL6310424

O=C(NC1CC2CNC1C2)c1ccc(Oc2cnccc2Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 3/20 0.41
MAPK14 Q16539 2/20 0.41
NAAA Q02083 1/20 0.37
ADAM17 P78536 1/20 0.35
CYP3A4 P08684 1/20 0.35
MMP2 P08253 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
CHUK O15111 1/20 0.34
ICOSLG O75144 1/20 0.34
ICOS Q9Y6W8 1/20 0.34
CYP46A1 Q9Y6A2 1/20 0.34
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL6306267 0.93 EZH2 (0.40) EZH2MAPK14NAAAADAM17CYP3A4
SCHEMBL6303183 0.86 EZH2 (0.55) EZH2MAPK14ADAM17MMP2MMP7
SCHEMBL6305664 0.83 EZH2 (0.40) EZH2MAPK14NAAAADAM17MMP2
SCHEMBL6303284 0.82 MMP2 (0.45) MAPK14CYP3A4MMP2MMP7MMP9
SCHEMBL6310417 0.82 KCNQ3 (0.46) EZH2NAAAMMP2MMP7MMP9
SCHEMBL6311287 0.82 NAAA (0.37) NAAAMMP2MMP7MMP9MMP13
SCHEMBL7121712 0.82 EZH2 (0.41) EZH2MAPK14NAAACYP3A4MMP2
SCHEMBL6303505 0.82 MAPK14 (0.45) EZH2MAPK14NAAAADAM17CYP3A4
SCHEMBL6305897 0.81 L3MBTL1 (0.41) EZH2MAPK14NAAAMMP2MMP7
SCHEMBL6303053 0.80 NPC1 (0.41) MMP2MMP9NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480977-A2 SUBSTITUTED ARYL COMPOUNDS FOR TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-12-01 EP claimed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
WO-2003070728-A2 AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO claimed
US-6852716-B2 Substituted-aryl compounds for treatment of disease PFIZER INC (US) 2005-02-08 US disclosed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 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-20030236279-A1 Substituted-aryl compounds for treatment of disease NAT1, CYP7A1, CYP7B1 EZH2 4701/4885MAPK14 2726/4885NAAA 2942/4885

“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.