SCHEMBL4396985

SCHEMBL4396985

CC(C)NCCNc1ccc(S(=O)(=O)Oc2ccc3nc(NC(=O)CCC4CCNCC4)sc3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 3/20 0.40
TP53 P04637 2/20 0.40
KMT2A Q03164 2/20 0.40
CLK1 P49759 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CASP2 P42575 1/20 0.40
MAPT P10636 3/20 0.40
HDAC3 O15379 1/20 0.39

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 SCHEMBL4396982 0.99 ALDH1A1 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL4394584 0.93 ALDH1A1 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2CA12
Hydrochloric Acid SCHEMBL4394580 0.92 ALDH1A1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2CA12
SCHEMBL4396897 0.91 QPCT (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL4399661 0.91 ALDH1A1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL4397343 0.91 ALDH1A1 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL4399657 0.90 ALDH1A1 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL4394716 0.90 ALDH1A1 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL4401006 0.89 ALDH1A1 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL4401004 0.89 ALDH1A1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR

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 ALDH1A1 930/4885NPC1 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.