SCHEMBL4944007

SCHEMBL4944007

COc1cccc(C(=O)Cn2c3c(sc2=N)CCCC3)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
TP53 P04637 3/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
CYP1A1 P04798 2/20 0.64
CYP1B1 Q16678 2/20 0.64
MAPK1 P28482 2/20 0.64
ALDH1A1 P00352 1/20 0.64
CYP3A4 P08684 1/20 0.64
ALOX15 P16050 1/20 0.64
TSHR P16473 1/20 0.64
HSD17B10 Q99714 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
POLB P06746 1/20 0.52
CDYL2 Q8N8U2 7/20 0.47

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
SCHEMBL4941189 0.86 MAPT (0.76) MAPTSMN1; SMN2TP53MEN1KMT2A
Bromide SCHEMBL22749617 0.85 CYP1A1 (0.77) MAPTSMN1; SMN2TP53MEN1KMT2A
Bromide SCHEMBL22749616 0.84 MAPT (0.73) MAPTSMN1; SMN2TP53MEN1KMT2A
Bromide SCHEMBL4796807 0.84 CYP1A1 (0.75) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL22761718 0.83 ALDH1A1 (0.64) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL22761628 0.83 MEN1 (0.64) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL13650897 0.83 MAPT (0.64) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL4941971 0.82 ALDH1A1 (0.77) MAPTSMN1; SMN2TP53MEN1KMT2A
Bromide SCHEMBL22749445 0.82 CYP1A1 (0.65) MAPTSMN1; SMN2TP53MEN1KMT2A
Bromide SCHEMBL22749637 0.82 CYP1A1 (0.65) MAPTSMN1; SMN2TP53MEN1KMT2A

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 MAPT 240/4885SMN1; SMN2 60/4885TP53 867/4885
US-20080319032-A1 TETRAHYDROBENZOTHIAZOLE ANALOGUES AS NEUROPROTECTIVE AGENTS BAX, BAD, BCL2 MAPT 240/4885SMN1; SMN2 60/4885TP53 867/4885

“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.