SCHEMBL4941971

SCHEMBL4941971

N=c1sc2c(n1CC(=O)c1ccccc1)CCCC2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.77
MAPT P10636 5/20 0.77
KMT2A Q03164 5/20 0.77
MEN1 O00255 3/20 0.77
SMN1; SMN2 Q16637 3/20 0.77
CYP1A1 P04798 2/20 0.77
CYP1B1 Q16678 2/20 0.77
TSHR P16473 2/20 0.77
CYP3A4 P08684 2/20 0.77
TP53 P04637 2/20 0.77
ALOX15 P16050 1/20 0.77
MAPK1 P28482 1/20 0.77
HSD17B10 Q99714 1/20 0.77
HDAC6 Q9UBN7 1/20 0.77
HTT P42858 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GAA P10253 2/20 0.41

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
SCHEMBL14113975 0.92 SMN1; SMN2 (0.74) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL158627 0.87 KMT2A (1.00) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL5553156 0.87 MAPT (0.77) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL13650924 0.87 MAPT (0.77) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4942836 0.87 ALDH1A1 (0.77) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
Bromide SCHEMBL3622970 0.86 CYP1A1 (1.00) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL22761718 0.85 ALDH1A1 (0.64) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL22761628 0.85 MEN1 (0.64) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL13650897 0.85 MAPT (0.64) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
Bromide SCHEMBL22749605 0.85 KMT2A (0.95) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2

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-20080319032-A1 TETRAHYDROBENZOTHIAZOLE ANALOGUES AS NEUROPROTECTIVE AGENTS GREIG NIGEL H 2008-12-25 US disclosed
US-20040067991-A1 Tetrahydrobenzothiazole analogues as neuroprotective agents GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES, THE 2004-04-08 US disclosed
EP-1303502-A2 TETRAHYDROBENZOTHIAZOLE ANALOGUES AS NEUROPROTECTIVE AGENTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2003-04-23 EP disclosed
WO-2002004409-A2 TETRAHYDROBENZOTHIAZOLE ANALOGUES AS NEUROPROTECTIVE AGENTS US GOV HEALTH & HUMAN SERV (US) 2002-01-17 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-20040067991-A1 Tetrahydrobenzothiazole analogues as neuroprotective agents BAX, BAD, BCL2 ALDH1A1 1031/4885MAPT 240/4885KMT2A 3909/4885
US-20080319032-A1 TETRAHYDROBENZOTHIAZOLE ANALOGUES AS NEUROPROTECTIVE AGENTS BAX, BAD, BCL2 ALDH1A1 1031/4885MAPT 240/4885KMT2A 3909/4885

“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.