SCHEMBL6310397

SCHEMBL6310397

COc1ccc(Oc2ccc(C(=O)NC3CC4CNC3C4)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.39
MMP10 P09238 1/20 0.39
NAAA Q02083 2/20 0.39
MEN1 O00255 1/20 0.38
CASP3 P42574 1/20 0.38
KMT2A Q03164 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
POLB P06746 1/20 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
LMNA P02545 1/20 0.36
NNMT P40261 1/20 0.36
EZH2 Q15910 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
FAAH O00519 1/20 0.35

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
SCHEMBL6305857 0.88 ADAM17 (0.40) NAAAKMT2AMMP2MMP7MMP9
SCHEMBL6309450 0.87 NAAA (0.49) NAAAMMP2MMP7MMP9MMP13
SCHEMBL6310417 0.86 KCNQ3 (0.46) NAAAMEN1CASP3KMT2ASENP8
SCHEMBL6303053 0.84 NPC1 (0.41) MEN1CASP3KMT2ASENP8SENP7
SCHEMBL6305253 0.83 SCN9A (0.43)
SCHEMBL6303131 0.82 HPGD (0.46) NAAAMMP2MMP7MMP9MMP13
SCHEMBL6303363 0.82 MEN1 (0.40) MMP3MMP10NAAAMEN1CASP3
SCHEMBL7116059 0.82 POLB (0.39) MMP3MMP10NAAAMEN1CASP3
SCHEMBL6305962 0.81 MMP2 (0.54) MMP2MMP7MMP9MMP13EZH2
SCHEMBL6303219 0.81 MMP2 (0.43) NAAAMEN1KMT2AMMP2MMP7

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 MMP3 2250/4885MMP10 2208/4885NAAA 2942/4885

“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.