SCHEMBL6311541

SCHEMBL6311541

Nc1ccc(Oc2ccc(C(=O)NC3CC4CC3CN4)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.44
MMP2 P08253 1/20 0.44
MMP7 P09237 1/20 0.44
MMP9 P14780 1/20 0.44
PARP10 Q53GL7 1/20 0.42
EZH2 Q15910 2/20 0.41
ST14 Q9Y5Y6 1/20 0.41
USP30 Q70CQ3 2/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
IKZF3 Q9UKT9 1/20 0.38
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6305759 0.90 PARP10 (0.46) MMP13MMP2MMP7MMP9PARP10
SCHEMBL6311929 0.90 MMP2 (0.55) MMP13MMP2MMP7MMP9EZH2
SCHEMBL6311303 0.90 MMP2 (0.43) MMP13MMP2MMP7MMP9PARP10
SCHEMBL6305808 0.89 MMP2 (0.45) MMP13MMP2MMP7MMP9PARP10
SCHEMBL6303511 0.88 HPGD (0.46) MMP13MMP2MMP7MMP9EZH2
SCHEMBL6303454 0.88 MMP2 (0.44) MMP13MMP2MMP7MMP9EZH2
SCHEMBL6310558 0.88 NAAA (0.49) MMP13MMP2MMP7MMP9EZH2
SCHEMBL6304573 0.88 MMP2 (0.47) MMP13MMP2MMP7MMP9EZH2
SCHEMBL6303876 0.86 EZH2 (0.42) MMP13MMP2MMP7MMP9PARP10
SCHEMBL6306561 0.85 CHRNA7 (0.46) EZH2DDB1CRBNIKZF3HPGD

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
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
EP-1480977-A2 SUBSTITUTED ARYL COMPOUNDS FOR TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-12-01 EP disclosed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003070728-A2 AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 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 (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 MMP13 2963/4885MMP2 3426/4885MMP7 831/4885

“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.