SCHEMBL6310417

SCHEMBL6310417

O=C(NC1CC2CNC1C2)c1ccc(Oc2ccc(Cl)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.46
KCNQ2 O43526 2/20 0.46
KCNE1 P15382 2/20 0.46
KCNQ1 P51787 2/20 0.46
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MMP2 P08253 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
NAAA Q02083 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36

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) KMT2AMMP2MMP7MMP9MMP13
SCHEMBL6303284 0.88 MMP2 (0.45) MEN1KMT2AMMP2MMP7MMP9
SCHEMBL6310397 0.86 MMP3 (0.39) CHRNB2CHRNA4MEN1KMT2AMMP2
SCHEMBL6303691 0.86 TAS1R3 (0.40) KCNQ3KCNQ2KCNE1KCNQ1CHRNB2
SCHEMBL6305253 0.85 SCN9A (0.43)
SCHEMBL6311287 0.84 NAAA (0.37) CHRNB2CHRNA4CHRNB4CHRNA3MMP2
SCHEMBL6303053 0.84 NPC1 (0.41) MEN1KMT2AMMP2MMP9TRPV1
SCHEMBL6303219 0.84 MMP2 (0.43) MEN1KMT2AMMP2MMP7MMP9
SCHEMBL6305962 0.84 MMP2 (0.54) KCNQ3KCNQ2KCNE1KCNQ1CHRNB2
SCHEMBL6305478 0.83 MMP2 (0.42) MMP2MMP7MMP9MMP13NPC1

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 KCNQ3 1751/4885KCNQ2 1391/4885KCNE1 1599/4885

“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.