SCHEMBL6299248

SCHEMBL6299248

COC(=O)c1ccc2nc(C)n(Cc3ccc(CC4CCCCC4)cc3Cl)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.38
KCNH2 Q12809 1/20 0.38
NLRP3 Q96P20 1/20 0.37
CDK9 P50750 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PTAFR P25105 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL6299020 0.90 KCNH2 (0.39) P2RX3KCNH2CDK9DYRK1ADYRK2
SCHEMBL6491816 0.87 CDK9 (0.39) P2RX3CDK9DYRK1ADYRK2MAPT
SCHEMBL6298703 0.86 ALOX5AP (0.40) CDK9DYRK1ADYRK2MAPTSMN1; SMN2
SCHEMBL6301038 0.86 ALDH1A1 (0.42) MAPTSMN1; SMN2ALDH1A1HDAC3HDAC4
SCHEMBL6300779 0.86 P2RX3 (0.38) P2RX3KCNH2NLRP3MAPTPTAFR
SCHEMBL6299867 0.86 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL6300816 0.85 ALOX5AP (0.40) MAPTSMN1; SMN2ALDH1A1
SCHEMBL6300180 0.85 MAPT (0.39) CDK9DYRK1ADYRK2MAPTSMN1; SMN2
SCHEMBL6501931 0.85 TRPV1 (0.37) CDK9DYRK1ADYRK2MAPTSMN1; SMN2
SCHEMBL6501929 0.85 CDK9 (0.40) P2RX3CDK9DYRK1ADYRK2MAPT

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 P2RX3 614/4885KCNH2 410/4885NLRP3 3802/4885
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 P2RX3 1144/4885KCNH2 311/4885NLRP3 4430/4885

“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.