SCHEMBL3708955

SCHEMBL3708955

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.35
APLNR P35414 1/20 0.35
SMN1; SMN2 Q16637 3/20 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
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 2/20 0.31
HPGD P15428 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CCR5 P51681 1/20 0.31
ACHE P22303 1/20 0.31
MCHR1 Q99705 1/20 0.31
MAPT P10636 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL3703439 0.97 APLNR (0.34) CCR2APLNRSMN1; SMN2NPC1NFKB1
SCHEMBL3699737 0.96 APLNR (0.34) CCR2APLNRSMN1; SMN2NPC1NFKB1
SCHEMBL3707823 0.96 APLNR (0.33) CCR2APLNRSMN1; SMN2NPC1NFKB1
SCHEMBL3706992 0.93 APLNR (0.40) CCR2APLNRSMN1; SMN2NPC1NFKB1
SCHEMBL3704767 0.86 APLNR (0.37) CCR2APLNRSMN1; SMN2NPC1NFKB1
SCHEMBL3713241 0.85 APLNR (0.38) CCR2APLNRSMN1; SMN2NPC1NFKB1
SCHEMBL3711008 0.84 APLNR (0.35) CCR2APLNRSMN1; SMN2NPC1NFKB1
SCHEMBL3706230 0.83 SCN9A (0.36)
SCHEMBL3705821 0.81 MMP3 (0.36)
SCHEMBL9948179 0.80 AGTR1 (0.33) APLNRRAB9AL3MBTL1ACHEMAPT

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 CCR2 109/4885APLNR 268/4885SMN1; SMN2 1969/4885

“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.