SCHEMBL4401099

SCHEMBL4401099

O=C(CCc1cccnc1)Nc1nc2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2s1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.49
MAPT P10636 4/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
RAB9A P51151 7/20 0.46
NPC1 O15118 4/20 0.46
SCD O00767 2/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
HSD17B10 Q99714 2/20 0.44
CSNK1D P48730 1/20 0.44
NAMPT P43490 1/20 0.44
WNT3A P56704 1/20 0.44

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
SCHEMBL5186173 0.92 MAPT (0.52) PAX8MAPTGAASMN1; SMN2RAB9A
SCHEMBL4401037 0.86 RAB9A (0.46) MAPTGAASMN1; SMN2RAB9ANPC1
SCHEMBL4396950 0.86 RAB9A (0.47) MAPTGAASMN1; SMN2RAB9ANPC1
Hydrochloric Acid SCHEMBL4402161 0.86 RAB9A (0.45) MAPTGAASMN1; SMN2RAB9ANPC1
Hydrochloric Acid SCHEMBL4397529 0.85 MAPT (0.46) MAPTGAASMN1; SMN2RAB9ANPC1
SCHEMBL544203 0.85 CSNK1D (0.50) MAPTGAASMN1; SMN2RAB9ANPC1
Hydrochloric Acid SCHEMBL5154824 0.84 SMN1; SMN2 (0.44) MAPTSMN1; SMN2RAB9APOLBMEN1
SCHEMBL4399543 0.83 RAB9A (0.66) PAX8MAPTGAASMN1; SMN2RAB9A
SCHEMBL4396993 0.81 ALDH1A1 (0.55) MAPTGAASMN1; SMN2RAB9ANPC1
SCHEMBL4405589 0.80 NPC1 (0.63) MAPTGAASMN1; SMN2RAB9ANPC1

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 PAX8 2717/4885MAPT 355/4885GAA 960/4885

“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.