SCHEMBL6303045

SCHEMBL6303045

O=C(NC1CC2CNC1C2)c1ccc(Oc2ccc(Cl)s2)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.38
TRPV1 Q8NER1 1/20 0.35
MMP2 P08253 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
F2 P00734 2/20 0.34
EZH2 Q15910 2/20 0.34
CYP3A4 P08684 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
SCHEMBL6305819 0.88 NAAA (0.38) F10TRPV1MMP2MMP7MMP9
SCHEMBL6303148 0.87 MMP13 (0.35) F10TRPV1MMP2MMP7MMP9
SCHEMBL6306514 0.85 MMP2 (0.34) TRPV1MMP2MMP7MMP9MMP13
SCHEMBL6303284 0.84 MMP2 (0.45) TRPV1MMP2MMP7MMP9MMP13
SCHEMBL6305335 0.83 MMP2 (0.36) TRPV1MMP2MMP7MMP9MMP13
SCHEMBL6309902 0.82 MMP2 (0.38) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7121113 0.81 MMP2 (0.38) F10TRPV1MMP2MMP7MMP9
SCHEMBL6303276 0.81 F10 (0.40) F10MMP2MMP7MMP9MMP13
SCHEMBL6305962 0.81 MMP2 (0.54) MMP2MMP7MMP9MMP13EZH2
SCHEMBL6303219 0.81 MMP2 (0.43) 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 F10 3194/4885TRPV1 3090/4885MMP2 3426/4885

“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.