Sugi Predict

Sugi Predict / Compounds / SCHEMBL6843582

SCHEMBL6843582

SCHEMBL6843582

CCCCC1(CCCC)CSc2ccc([N+](=O)[O-])cc2C(c2ccc(OC)cc2)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 2/20 0.40
▸ SLC10A2 Q12908 8/20 0.38
▸ CRHBP P24387 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ ESPL1 Q14674 1/20 0.35
▸ CTSV O60911 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ STAT1 P42224 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPBWR1 P48145 1/20 0.35

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
SCHEMBL6838829 0.80 SLC10A2 (0.54) SLC10A2
SCHEMBL8239487 0.77 SLC10A2 (0.52) SLC10A2
SCHEMBL8380393 0.77 SLC10A2 (0.52) SLC10A2
SCHEMBL8239482 0.77 SLC10A2 (0.52) SLC10A2
SCHEMBL8380396 0.77 SLC10A2 (0.52) SLC10A2
SCHEMBL8200621 0.77 SLC10A2 (0.52) SLC10A2
SCHEMBL8377525 0.77 SLC10A2 (0.47) SLC10A2
SCHEMBL8385632 0.77 SLC10A2 (0.47) SLC10A2
SCHEMBL8377523 0.77 SLC10A2 (0.47) SLC10A2
SCHEMBL7465173 0.71 SLC10A2 (0.52) SLC10A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077625-A1 Novel 1,4-benzothiazepine and 1,5-benzothiazepine compounds as inhibitors of apical sodium codependent bile acid transport abd taurocholate uptake PHARMACIA CORPORATION 2004-04-22 — — US disclosed
US-20020183307-A1 Novel 1,4-benzothiazephine and 1,5-benzothiazepine compounds as inhibitors of apical sodium co-dependent bile acid transport and taurocholate uptake G.D. SEARLE LLC 2002-12-05 — — US disclosed
WO-2002008211-A2 BENZOTHIAZEPINES AND THEIR USE AS ANTIHYPERLIPIDEMICS G.D. SEARLE, LLC. (US) 2002-01-31 — — 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 (2 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-20040077625-A1 Novel 1,4-benzothiazepine and 1,5-benzothiazepine compounds as inhibitors of apical sodium codependent bile acid transport abd taurocholate uptake SLC10A1, ABCB11, SLC10A2 SNCA 4022/4885SLC10A2 3/4885CRHBP 3280/4885
US-20020183307-A1 Novel 1,4-benzothiazephine and 1,5-benzothiazepine compounds as inhibitors of apical sodium co-dependent bile acid transport and taurocholate uptake SLC10A1, SLC10A2, ABCB11 SNCA 4201/4885SLC10A2 2/4885CRHBP 2368/4885

“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.