SCHEMBL6309407

SCHEMBL6309407

COc1cccc(Oc2ccc(C(=O)NC3CC4CC3CN4)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.49
MMP13 P45452 2/20 0.46
MTNR1B P49286 9/20 0.46
MTNR1A P48039 5/20 0.46
EZH2 Q15910 2/20 0.45
MMP2 P08253 1/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43
NAAA Q02083 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL6310558 0.92 NAAA (0.49) MMP13EZH2MMP2MMP7MMP9
SCHEMBL6303164 0.88 NPC1 (0.46) PGRMMP13EZH2MMP2MMP7
SCHEMBL6311929 0.87 MMP2 (0.55) PGRMMP13EZH2MMP2MMP7
SCHEMBL6310487 0.87 GRM5 (0.43) MMP13EZH2MMP2MMP7MMP9
SCHEMBL6305684 0.87 HTR2C (0.45) MMP13EZH2MMP2MMP7MMP9
SCHEMBL6311303 0.87 MMP2 (0.43) MMP13EZH2MMP2MMP7MMP9
SCHEMBL6305992 0.86 PARP10 (0.54) MMP13EZH2MMP2MMP7MMP9
SCHEMBL6303511 0.85 HPGD (0.46) MMP13EZH2MMP2MMP7MMP9
SCHEMBL6306961 0.84 MTNR1A (0.46) MTNR1BMTNR1AEZH2NAAANPC1
SCHEMBL6303539 0.84 MMP13 (0.43) MMP13EZH2MMP2MMP7MMP9

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 PGR 508/4885MMP13 2963/4885MTNR1B 79/4885

“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.