SCHEMBL6135037

SCHEMBL6135037

CCCCC(=O)Nc1cc[c]c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KDM4E B2RXH2 3/20 0.50
HPGD P15428 3/20 0.50
RAB9A P51151 3/20 0.50
ALOX12 P18054 1/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
EPHX2 P34913 1/20 0.46

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
SCHEMBL6713744 0.91 ALDH1A1 (0.56) ALDH1A1CYP2D6CYP2C9KDM4EHPGD
SCHEMBL10344761 0.84 CYP3A4 (0.58) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6494806 0.79 HPGD (0.55) CYP1A2CYP2C9CYP2C19HPGDRAB9A
SCHEMBL4133285 0.78 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7028186 0.77 LMNA (0.49) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL7607420 0.77 RAB9A (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL4007620 0.77 KMT2A (0.58) CYP1A2CYP2C19RAB9AMEN1KMT2A
SCHEMBL2459851 0.76 ALDH1A1 (0.47) ALDH1A1CYP1A2KDM4ERAB9ASMN1; SMN2
SCHEMBL10969527 0.76 KDM4E (0.72) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11334549 0.76 NPC1 (0.51) RAB9ASMN1; SMN2NPC1LMNACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005082414-A2 CONCOMITANT DRUGS OF A SULFONAMIDE AND ANOTHER THERAPEUTIC AGENT ASTELLAS PHARMA INC. (JP) 2005-09-09 WO disclosed
US-20050197376-A1 Concomitant drugs FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-09-08 US disclosed
US-6890934-B2 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-05-10 US disclosed
US-20030171396-A1 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-11 US disclosed
US-6573274-B1 Treatment of the diseases curable based on a hypoglycemic action, and the diseases curable based on a cGMP-PDE inhibitory action, a smooth muscle relaxing action, a bronchodilating action, a vasodilating action, a smooth muscle FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-06-03 US disclosed
CN-1335847-A Sulfonamide compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO (JP) 2002-02-13 CN 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 (1 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-20030171396-A1 Sulfonamide compounds and uses thereof as medicines PDE2A, PDE3A, PDE5A ALDH1A1 476/4885CYP1A2 1033/4885CYP2D6 1009/4885

“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.