SCHEMBL6305201

SCHEMBL6305201

O=C(NC1CC2CNC1C2)c1ccc(Oc2nccs2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 4/20 0.37
ACACB O00763 1/20 0.35
ACACA Q13085 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
P2RX3 P56373 1/20 0.33
CHRNA7 P36544 3/20 0.33
EZH2 Q15910 1/20 0.32
ADAM17 P78536 1/20 0.32
NAAA Q02083 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GCK P35557 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
RECQL P46063 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
SCHEMBL6303523 0.83 MMP2 (0.35) MMP2MMP7MMP9MMP13P2RX3
SCHEMBL7116084 0.81 MMP2 (0.37) RAB9AHSD17B10NPC1ACACBACACA
SCHEMBL6305220 0.81 MMP2 (0.37) RAB9AHSD17B10NPC1ACACBACACA
SCHEMBL6309902 0.81 MMP2 (0.38) HSD17B10MMP2MMP7MMP9MMP13
SCHEMBL6303219 0.80 MMP2 (0.43) MMP2MMP7MMP9MMP13EZH2
SCHEMBL6305962 0.80 MMP2 (0.54) NPC1MMP2MMP7MMP9MMP13
SCHEMBL6309998 0.79 MMP2 (0.37) RAB9ANPC1MMP2MMP7MMP9
SCHEMBL6307351 0.79 CHRNA7 (0.36) RAB9AHSD17B10NPC1CHRNA7EZH2
SCHEMBL6305852 0.79 MMP2 (0.35) MMP2MMP7MMP9MMP13EZH2
SCHEMBL6309450 0.79 NAAA (0.49) RAB9ANPC1MMP2MMP7MMP9

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 RAB9A 975/4885HSD17B10 183/4885NPC1 46/4885

“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.