SCHEMBL6300779

SCHEMBL6300779

COC(=O)c1ccc2c(n1)nc(C)n2Cc1ccc(CC2CCCCC2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.38
KCNH2 Q12809 1/20 0.38
DCTPP1 Q9H773 1/20 0.37
NLRP3 Q96P20 1/20 0.37
ABL1 P00519 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
RIN1 Q13671 1/20 0.35
BRD4 O60885 1/20 0.35
MAPT P10636 3/20 0.35
PTAFR P25105 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
TP53 P04637 1/20 0.34
PPM1D O15297 1/20 0.34
CNR1 P21554 1/20 0.34
ALOX5AP P20292 1/20 0.33

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
SCHEMBL6299341 0.87 ALOX5AP (0.39) HPGDMAPTCNR1ALOX5AP
SCHEMBL6299248 0.86 P2RX3 (0.38) P2RX3KCNH2DCTPP1NLRP3MAPT
SCHEMBL6300466 0.83 ALOX5AP (0.41) P2RX3DCTPP1ABL1POLBHPGD
SCHEMBL6299634 0.82 MAPT (0.39) DCTPP1ABL1POLBHPGDRIN1
SCHEMBL6301746 0.82 PPARG (0.45) DCTPP1HPGDMAPTTP53
SCHEMBL6299486 0.81 PPARG (0.42) P2RX3DCTPP1ABL1POLBHPGD
SCHEMBL6505036 0.80 CNR2 (0.32) MAPTTHRBTP53ALOX5AP
SCHEMBL6299003 0.80 MAPT (0.52) HPGDMAPTTP53
SCHEMBL6306166 0.80 PLA2G2A (0.43) DCTPP1MAPTTP53
SCHEMBL6301336 0.80 ABL1 (0.44) DCTPP1ABL1POLBHPGDRIN1

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 410/4885DCTPP1 2223/4885
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 311/4885DCTPP1 2004/4885

“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.