SCHEMBL6299386

SCHEMBL6299386

Cc1nc2ccc(C(=O)O)nc2n1Cc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.42
FAAH O00519 1/20 0.42
MDM2 Q00987 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCR2 P41597 2/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
KCNH2 Q12809 1/20 0.37
CYP2C9 P11712 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37

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
SCHEMBL6300809 0.91 ALDH1A1 (0.39) MRGPRX4FAAHMDM2ALDH1A1MAPT
SCHEMBL6299017 0.89 MRGPRX4 (0.39) MRGPRX4MDM2ALDH1A1MAPTSMN1; SMN2
SCHEMBL6299851 0.86 MAPK1 (0.43) ALDH1A1MAPTSMN1; SMN2CYP3A4CYP2D6
SCHEMBL6299786 0.86 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2HDAC3HDAC4
SCHEMBL6299335 0.86 PPARG (0.47) ALDH1A1MAPTSMN1; SMN2CYP3A4CYP2D6
SCHEMBL7839471 0.85 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2HDAC3HDAC4
SCHEMBL6299323 0.84 MRGPRX4 (0.42) MRGPRX4FAAHMDM2CCR2PTGDR2
SCHEMBL6305553 0.84 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2HDAC3HDAC4
SCHEMBL6301712 0.84 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2HDAC3HDAC4
SCHEMBL6299844 0.84 PPARG (0.45) ALDH1A1MAPTSMN1; SMN2PPARG

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 1444/4885FAAH 2474/4885MDM2 4858/4885
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 3038/4885FAAH 2451/4885MDM2 4702/4885

“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.