SCHEMBL4399574

SCHEMBL4399574

COCC(=O)Nc1nc2ccc(OS(=O)(=O)c3ccc(NCCNC(C)C)cc3)cc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.55
NPC1 O15118 6/20 0.55
RAB9A P51151 6/20 0.55
TP53 P04637 5/20 0.55
POLB P06746 2/20 0.55
ALDH1A1 P00352 6/20 0.48
CASP2 P42575 1/20 0.48
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
RECQL P46063 2/20 0.47
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 1/20 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
HSD17B10 Q99714 1/20 0.47
MAPK1 P28482 2/20 0.46
CLK1 P49759 1/20 0.46
HTT P42858 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
SCHEMBL4398846 0.92 RAB9A (0.50) SMN1; SMN2NPC1RAB9ATP53POLB
SCHEMBL4396695 0.90 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL4396844 0.90 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ATP53POLB
SCHEMBL4394777 0.90 DYRK1A (0.52) SMN1; SMN2NPC1RAB9APOLBALDH1A1
Hydrochloric Acid SCHEMBL4398837 0.89 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ATP53POLB
SCHEMBL4396794 0.89 ATAD2 (0.56) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
Hydrochloric Acid SCHEMBL4396754 0.89 DYRK1A (0.51) SMN1; SMN2NPC1RAB9APOLBALDH1A1
SCHEMBL4394536 0.87 HDAC3 (0.48) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL4413074 0.87 CLK1 (0.52) SMN1; SMN2NPC1RAB9APOLBALDH1A1
Hydrochloric Acid SCHEMBL4394533 0.86 HDAC3 (0.47) SMN1; SMN2NPC1RAB9ATP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632952-B2 4-(2-hydroxy-2-methylpropylamino)benzenesulfonic acid 2-[(piperidine-4-carbonyl)-amino]benzothiazol-6-yl ester; anticancer activity, via modulation of the activity of proteins, in particular of kinases; anticarcinogenic agent AVENTIS PHARMA S.A. (FR) 2009-12-15 US claimed
US-7632952-B2 4-(2-hydroxy-2-methylpropylamino)benzenesulfonic acid 2-[(piperidine-4-carbonyl)-amino]benzothiazol-6-yl ester; anticancer activity, via modulation of the activity of proteins, in particular of kinases; anticarcinogenic agent AVENTIS PHARMA S.A. (FR) 2009-12-15 US disclosed
US-7632952-B2 4-(2-hydroxy-2-methylpropylamino)benzenesulfonic acid 2-[(piperidine-4-carbonyl)-amino]benzothiazol-6-yl ester; anticancer activity, via modulation of the activity of proteins, in particular of kinases; anticarcinogenic agent AVENTIS PHARMA S.A. (FR) 2009-12-15 US disclosed
US-7632952-B2 4-(2-hydroxy-2-methylpropylamino)benzenesulfonic acid 2-[(piperidine-4-carbonyl)-amino]benzothiazol-6-yl ester; anticancer activity, via modulation of the activity of proteins, in particular of kinases; anticarcinogenic agent AVENTIS PHARMA S.A. (FR) 2009-12-15 US disclosed
US-20070093488-A1 Novel Benzothiazoles And The Use Thereof As Medicaments AVENTIS PHARMA S.A. (FR) 2007-04-26 US disclosed
US-20070093488-A1 Novel Benzothiazoles And The Use Thereof As Medicaments AVENTIS PHARMA S.A. (FR) 2007-04-26 US disclosed
US-20070093488-A1 Novel Benzothiazoles And The Use Thereof As Medicaments AVENTIS PHARMA S.A. (FR) 2007-04-26 US disclosed
EP-1745044-A2 BENZOTHIAZOLE DERIVATIVES HAVING CDK MODULATING ACTIVITY AND USE THEREOF AS ANTICANCER AGENTS Aventis Pharma S.A. (FR) 2007-01-24 EP disclosed
WO-2005097787-A2 NOVEL BENZOTHIAZOLES AND THE USE THEREOF AS MEDICAMENTS AVENTIS PHARMA S.A. (FR) 2005-10-20 WO 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-20070093488-A1 Novel Benzothiazoles And The Use Thereof As Medicaments TFEB, ABAT, BRD4 SMN1; SMN2 4780/4885NPC1 600/4885RAB9A 4759/4885

“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.