SCHEMBL6843747

SCHEMBL6843747

CCCCC(N)(CCCC)CSc1cc([N+](=O)[O-])ccc1C(=O)c1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.53
HTT P42858 4/20 0.53
GAA P10253 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
PAX8 Q06710 1/20 0.48
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
TBXA2R P21731 1/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CYP1A2 P05177 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
SCHEMBL7698539 0.90 MAPK1 (0.53) MAPK1HTTGAANPSR1PAX8
SCHEMBL7476806 0.79 ALDH1A1 (0.46) MAPK1HTTGAAMAPTSMN1; SMN2
SCHEMBL7476808 0.79 ALDH1A1 (0.46) MAPK1HTTGAAMAPTSMN1; SMN2
SCHEMBL6843749 0.72 MAPK1 (0.35) MAPK1HTTMAPTSMN1; SMN2LMNA
SCHEMBL11850324 0.71 MAPK1 (0.70) MAPK1HTTGAANPSR1PAX8
SCHEMBL6846139 0.70 MAPK1 (1.00) MAPK1HTTGAANPSR1PAX8
SCHEMBL12176671 0.70 HPGD (0.43) MAPK1HTTGAANPSR1MAPT
SCHEMBL6203512 0.70 TBXA2R (0.40) MAPK1HTTGAANPSR1MAPT
SCHEMBL7476335 0.69 MAPT (0.40) MAPK1HTTNPSR1MAPTSMN1; SMN2
SCHEMBL8328864 0.69 ALDH1A1 (0.47) MAPK1HTTGAANPSR1MAPT

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 MAPK1 3177/4885HTT 2513/4885GAA 1782/4885
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 MAPK1 3076/4885HTT 3139/4885GAA 1607/4885

“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.