SCHEMBL4396959

SCHEMBL4396959

O=C(CC1CCNCC1)Nc1nc2ccc(OS(=O)(=O)c3ccc(NCCCn4ccnc4)cc3)cc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 4/20 0.50
ALDH1A1 P00352 4/20 0.45
USP30 Q70CQ3 1/20 0.42
CSNK1D P48730 1/20 0.40
NPC1 O15118 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CASP2 P42575 1/20 0.38
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36

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
Hydrochloric Acid SCHEMBL4396954 0.99 QPCT (0.49) QPCTALDH1A1USP30CSNK1DNPC1
SCHEMBL4394552 0.93 QPCT (0.49) QPCTALDH1A1USP30NPC1CA12
Hydrochloric Acid SCHEMBL4394550 0.93 QPCT (0.48) QPCTALDH1A1USP30NPC1CA12
SCHEMBL4396897 0.88 QPCT (0.46) QPCTALDH1A1USP30NPC1CASP2
SCHEMBL4403849 0.87 QPCT (0.47) QPCTALDH1A1USP30CSNK1DNPC1
SCHEMBL4404033 0.87 QPCT (0.56) QPCTALDH1A1NPC1KMT2APOLB
SCHEMBL4396978 0.84 ALDH1A1 (0.51) ALDH1A1USP30CSNK1DNPC1CA12
SCHEMBL4402159 0.84 ALDH1A1 (0.49) ALDH1A1USP30CSNK1DNPC1CA12
Hydrochloric Acid SCHEMBL4396975 0.84 ALDH1A1 (0.51) ALDH1A1USP30CSNK1DNPC1CA12
Hydrochloric Acid SCHEMBL4402155 0.84 ALDH1A1 (0.49) ALDH1A1USP30CSNK1DNPC1CA12

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 7 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

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 QPCT 2480/4885ALDH1A1 930/4885USP30 1386/4885

“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.