SCHEMBL2753579

SCHEMBL2753579

O=C(O)N1CCn2c(Cc3cccnc3)ccc2C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 11/20 0.45
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
NAPRT Q6XQN6 1/20 0.42
CHRM1 P11229 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ALOX15 P16050 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 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
SCHEMBL2753832 0.89 TBXAS1 (0.43) TBXAS1KDM4EALDH1A1NAPRTCHRM1
SCHEMBL2753704 0.86 KDM4E (0.37) KDM4EALDH1A1CHRM1FNTAFNTB
SCHEMBL4400855 0.83 NR1H2 (0.52) TBXAS1
SCHEMBL2753740 0.77 THRB (0.38) KDM4EALDH1A1CHRM1TDP1FNTA
SCHEMBL2752518 0.75 MKNK1 (0.40) ALDH1A1
SCHEMBL4401774 0.73 NR1H2 (0.51)
SCHEMBL5718112 0.72 ALDH1A1 (0.67) KDM4EALDH1A1NAPRTFNTAFNTB
SCHEMBL6103374 0.72 ALDH1A1 (0.71) KDM4EALDH1A1TDP1
SCHEMBL2753361 0.68 GRM5 (0.41) KDM4EALDH1A1
SCHEMBL23647570 0.65 MEN1 (0.48) KDM4EALDH1A1NAPRTCHRM1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263598-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-11 US disclosed
US-8178535-B2 Substituted sulfonamide compounds having bradykinin 1 receptor activity and use thereof as medicaments GRUENENTHAL GMBH (DE) 2012-05-15 US disclosed
US-20090203672-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-08-13 US disclosed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 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 (2 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-20090186899-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 TBXAS1 351/4885KDM4E 3293/4885ALDH1A1 3693/4885
US-20090203672-A1 Substituted Sulfonamide Compounds RPS4X, RPS4Y1, CACNA1A TBXAS1 517/4885KDM4E 2117/4885ALDH1A1 1731/4885

“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.