SCHEMBL6299017

SCHEMBL6299017

COC(=O)c1ccc2nc(C)n(Cc3ccc(C(F)(F)F)cc3Cl)c2n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CFTR P13569 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MDM2 Q00987 1/20 0.37
PPARG P37231 1/20 0.37
TP53 P04637 1/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CTSA P10619 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL6299386 0.89 MRGPRX4 (0.42) MRGPRX4MAPTALDH1A1SMN1; SMN2CYP3A4
SCHEMBL6299946 0.87 MAPT (0.49) MAPTALDH1A1SMN1; SMN2TP53KDM4E
SCHEMBL6300374 0.87 PPARG (0.47) MRGPRX4MAPTALDH1A1SMN1; SMN2PPARG
SCHEMBL6305523 0.87 MAPT (0.41) MAPTALDH1A1SMN1; SMN2CYP3A4CYP2C9
SCHEMBL6299292 0.86 MAPT (0.41) MRGPRX4MAPTALDH1A1SMN1; SMN2PPARG
SCHEMBL6299039 0.85 HSD17B13 (0.39) MRGPRX4MAPTCFTRMDM2TP53
SCHEMBL6299473 0.85 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2PPARGTP53
SCHEMBL6305190 0.85 DCTPP1 (0.42) MAPTALDH1A1SMN1; SMN2PPARGTP53
SCHEMBL6299976 0.85 MAPT (0.40) MAPTALDH1A1SMN1; SMN2PPARGTP53
SCHEMBL6299151 0.85 MAPT (0.40) MAPTALDH1A1SMN1; SMN2PPARGTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6911469-B2 Sulfonamide compounds and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-28 US disclosed
US-20040180947-A1 hypoglycemic activity or phoshodiesterase-V inhibitory activity; prophylaxis and treatment of impaired glucose tolerance disorder, diabetes (e.g., type II diabetes), diabetic complications FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-16 US disclosed
US-20020099212-A1 For therapy of disease treatable based on a blood sugar level-depressing activity or a disease treatable based on a cGMP-PDE inhibiting activity, smooth muscle relaxing activity, bronchodilating activity, vasodilating activity FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-07-25 US disclosed
US-6348474-B1 COMPOUNDS AS ANTIDIABETIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-0995742-A1 SULFONAMIDE COMPOUNDS AND MEDICINAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-26 EP 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-20020099212-A1 For therapy of disease treatable based on a blood sugar level-depressing activity or a disease treatable based on a cGMP-PDE inhibiting activity, smooth muscle relaxing activity, bronchodilating activity, vasodilating activity PDE2A, PDE3A, PDE12 MRGPRX4 1444/4885MAPT 4591/4885ALDH1A1 570/4885
US-20040180947-A1 hypoglycemic activity or phoshodiesterase-V inhibitory activity; prophylaxis and treatment of impaired glucose tolerance disorder, diabetes (e.g., type II diabetes), diabetic complications PDE2A, PDE3A, PYGM MRGPRX4 3038/4885MAPT 4725/4885ALDH1A1 1067/4885

“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.