SCHEMBL4405536

SCHEMBL4405536

CC(C)NCCNc1ccc(S(=O)(=O)Oc2ccc3nc(NC(=O)CCC4CCN(C(=O)OC(C)(C)C)CC4)sc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
PCSK9 Q8NBP7 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CETP P11597 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
USP30 Q70CQ3 1/20 0.39
GPR119 Q8TDV5 4/20 0.39
TGFBR1 P36897 1/20 0.39
MAPT P10636 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL4398838 0.89 PCSK9 (0.43) LMNAL3MBTL1MEN1TP53HTT
SCHEMBL4401038 0.88 LMNA (0.46) LMNAL3MBTL1MEN1TP53HTT
SCHEMBL4396985 0.87 ALDH1A1 (0.43) LMNAL3MBTL1MEN1TP53HTT
Hydrochloric Acid SCHEMBL4396982 0.87 ALDH1A1 (0.43) LMNAL3MBTL1MEN1TP53HTT
SCHEMBL4404883 0.86 ALDH1A1 (0.45) LMNAL3MBTL1MEN1KMT2APCSK9
SCHEMBL4406183 0.85 ALDH1A1 (0.47) LMNAL3MBTL1MEN1KMT2APCSK9
SCHEMBL4413074 0.82 CLK1 (0.52) LMNAMEN1HTTKMT2AALDH1A1
SCHEMBL4396695 0.82 SMN1; SMN2 (0.56) LMNAL3MBTL1MEN1TP53HTT
SCHEMBL4397031 0.82 ALDH1A1 (0.51) LMNAL3MBTL1MEN1TP53KMT2A
SCHEMBL4399546 0.82 HDAC8 (0.45) LMNATP53ALDH1A1NPC1RAB9A

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 4 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 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 LMNA 3856/4885L3MBTL1 4287/4885MEN1 3151/4885

“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.