SCHEMBL1106933

SCHEMBL1106933

Brc1ccc(-c2cocn2)c(OCc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.44
MAOB P27338 1/20 0.42
PTGER1 P34995 6/20 0.42
CYP1A2 P05177 1/20 0.42
CCR5 P51681 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
USP28 Q96RU2 1/20 0.41
USP25 Q9UHP3 1/20 0.41
RAB9A P51151 1/20 0.41
LRRK2 Q5S007 1/20 0.40

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
SCHEMBL5651360 0.83 BRD4 (0.52) PTGER1
SCHEMBL6512936 0.77 IMPDH2 (0.51) SMN1; SMN2RAB9A
SCHEMBL1110773 0.77 SMN1; SMN2 (0.38) CYP1A2HTTSMN1; SMN2RAB9A
SCHEMBL23263138 0.76 BRD4 (0.43) MAOB
SCHEMBL368071 0.73 SLC6A4 (0.66) SLC6A4MAOBPTGER1CCR5ALDH1A1
SCHEMBL31644088 0.73 SLC6A4 (0.66) SLC6A4MAOBPTGER1CCR5ALDH1A1
SCHEMBL4434864 0.72 SLC6A4 (0.56) SLC6A4MAOBPTGER1CCR5ALDH1A1
SCHEMBL17049367 0.72 CCR5 (0.56) SLC6A4MAOBPTGER1CCR5ALDH1A1
SCHEMBL17817809 0.71 SGMS2 (0.52) SLC6A4ALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL17817812 0.71 NPC1 (0.49) SLC6A4CYP1A2ALDH1A1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440938-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2016-09-13 US disclosed
US-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO (JP) 2015-06-11 US disclosed
US-8153793-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-04-10 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-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, PTGDR2, CNR2 SLC6A4 1329/4885MAOB 3407/4885PTGER1 7/4885

“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.