SCHEMBL6309902

SCHEMBL6309902

O=C(NC1CC2CNC1C2)c1ccc(Oc2cccs2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
EZH2 Q15910 5/20 0.35
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADAM17 P78536 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL6305962 0.84 MMP2 (0.54) MMP2MMP7MMP9MMP13EZH2
SCHEMBL6305852 0.83 MMP2 (0.35) MMP2MMP7MMP9MMP13EZH2
SCHEMBL6304980 0.83 EZH2 (0.37) MMP2MMP7MMP9MMP13EZH2
SCHEMBL6303289 0.83 PARP10 (0.46) MMP2MMP7MMP9MMP13EZH2
SCHEMBL6305819 0.83 NAAA (0.38) MMP2MMP7MMP9MMP13EZH2
SCHEMBL6305335 0.82 MMP2 (0.36) MMP2MMP7MMP9MMP13EZH2
SCHEMBL6303148 0.82 MMP13 (0.35) MMP2MMP7MMP9MMP13EZH2
SCHEMBL6303045 0.82 F10 (0.38) MMP2MMP7MMP9MMP13EZH2
SCHEMBL6303219 0.82 MMP2 (0.43) MMP2MMP7MMP9MMP13EZH2
SCHEMBL6303266 0.81 MMP2 (0.39) MMP2MMP7MMP9MMP13EZH2

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 MMP2 3426/4885MMP7 831/4885MMP9 2900/4885

“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.