SCHEMBL3704767

SCHEMBL3704767

CCCCc1nc(C)n(-c2ncc(OCC)cn2)c(=O)c1Cc1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
CCR2 P41597 1/20 0.33
CCR5 P51681 1/20 0.33

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
SCHEMBL3706760 0.92 APLNR (0.43) APLNRSMN1; SMN2NPC1NFKB1MAPK1
SCHEMBL3713241 0.91 APLNR (0.38) APLNRSMN1; SMN2NPC1NFKB1MAPK1
SCHEMBL3710810 0.91 APLNR (0.35) APLNRSMN1; SMN2NPC1NFKB1MAPK1
SCHEMBL3708521 0.90 POLB (0.37) APLNRSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL3708894 0.89 APLNR (0.35) APLNRSMN1; SMN2NPC1NFKB1MAPK1
SCHEMBL3709967 0.88 APLNR (0.38) APLNRSMN1; SMN2NPC1NFKB1MAPK1
SCHEMBL3711008 0.88 APLNR (0.35) APLNRSMN1; SMN2NPC1NFKB1MAPK1
SCHEMBL3708955 0.86 CCR2 (0.35) APLNRSMN1; SMN2NPC1NFKB1MAPK1
SCHEMBL3703439 0.85 APLNR (0.34) APLNRSMN1; SMN2NPC1NFKB1MAPK1
SCHEMBL3699737 0.85 APLNR (0.34) APLNRSMN1; SMN2NPC1NFKB1MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471782-A1 NOVEL SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME Kowa Company, Ltd. (JP) 2012-07-04 EP disclosed
US-20120122906-A1 NOVEL SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME KOWA COMPANY, LTD. (JP) 2012-05-17 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-20120122906-A1 NOVEL SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME AGTR2, AGTR1, PPARA APLNR 268/4885SMN1; SMN2 1969/4885NPC1 2873/4885

“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.