SCHEMBL6309581

SCHEMBL6309581

O=C(NC1CC2CC1CN2)c1ccc(Oc2ncccc2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK8 P45983 2/20 0.42
PDE10A Q9Y233 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
EZH2 Q15910 1/20 0.39
MAPK14 Q16539 1/20 0.39
PPARG P37231 1/20 0.38
DRD1 P21728 2/20 0.37
ALDH1A1 P00352 1/20 0.37
DGAT2 Q96PD7 3/20 0.37
MMP2 P08253 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36

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
SCHEMBL6305631 0.86 EZH2 (0.41) L3MBTL1MAPTKDM4ERAB9ANPC1
SCHEMBL6303213 0.83 EZH2 (0.56) EZH2MAPK14MMP2MMP7MMP9
SCHEMBL7115042 0.83 L3MBTL1 (0.41) L3MBTL1MAPTKDM4EMAPK8PDE10A
SCHEMBL6305897 0.83 L3MBTL1 (0.41) L3MBTL1MAPTKDM4EMAPK8PDE10A
SCHEMBL6304573 0.82 MMP2 (0.47) MAPTRAB9ANPC1EZH2MAPK14
SCHEMBL6303016 0.82 KCNQ3 (0.48) RAB9ANPC1EZH2ALDH1A1MMP2
SCHEMBL6310508 0.82 TAS1R3 (0.40) EZH2MAPK14PPARGMMP2MMP7
SCHEMBL6303505 0.82 MAPK14 (0.45) RAB9ANPC1EZH2MAPK14MMP2
SCHEMBL6310966 0.81 MAPK14 (0.44) RAB9ANPC1EZH2MAPK14MMP2
SCHEMBL6310134 0.81 LOXL2 (0.41) RAB9ANPC1EZH2MAPK14PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US 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 L3MBTL1 2491/4885MAPT 2109/4885KDM4E 3523/4885

“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.