SCHEMBL3706992

SCHEMBL3706992

CCCCc1nc(C2CC2)n(-c2ncc(OC)cn2)c(=O)c1Cc1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APLNR P35414 4/20 0.40
CCR2 P41597 4/20 0.35
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDE1A P54750 2/20 0.31
PDE1B Q01064 2/20 0.31
PDE1C Q14123 2/20 0.31
CCR5 P51681 1/20 0.31
ACHE P22303 1/20 0.31
ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL3708955 0.93 CCR2 (0.35) APLNRCCR2NPC1NFKB1MAPK1
SCHEMBL3703439 0.90 APLNR (0.34) APLNRCCR2NPC1NFKB1MAPK1
SCHEMBL3699737 0.90 APLNR (0.34) APLNRCCR2NPC1NFKB1MAPK1
SCHEMBL3707823 0.89 APLNR (0.33) APLNRCCR2NPC1NFKB1MAPK1
SCHEMBL3706760 0.86 APLNR (0.43) APLNRFPR1FPR2NPC1NFKB1
SCHEMBL3703943 0.83 SCN9A (0.41) APLNR
SCHEMBL3716506 0.81 MMP3 (0.36)
SCHEMBL9948455 0.80 APLNR (0.34) APLNRACHE
SCHEMBL9947803 0.80 APLNR (0.34) APLNR
SCHEMBL9948502 0.79 APLNR (0.35) APLNRACHE

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 268/4885CCR2 109/4885FPR1 413/4885

“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.