SCHEMBL3863610

SCHEMBL3863610

CCOC(=O)Cn1c2c(sc1=N)CCCC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.60
▸ MAPK1 P28482 4/20 0.60
▸ HSD17B10 Q99714 4/20 0.60
▸ MAPT P10636 3/20 0.60
▸ TSHR P16473 3/20 0.60
▸ CYP1A1 P04798 2/20 0.60
▸ CYP1B1 Q16678 2/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ ALOX15 P16050 2/20 0.60
▸ TP53 P04637 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ HDAC6 Q9UBN7 1/20 0.60
▸ LMNA P02545 4/20 0.58
▸ KDM4E B2RXH2 3/20 0.46
▸ HPGD P15428 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ GLA P06280 1/20 0.42

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
Bromide SCHEMBL3863605 0.99 CYP1A1 (0.60) ALDH1A1MAPK1HSD17B10MAPTTSHR
SCHEMBL4938578 0.86 ALDH1A1 (0.59) ALDH1A1MAPK1HSD17B10MAPTTSHR
SCHEMBL4940049 0.80 MAPT (0.69) ALDH1A1MAPK1HSD17B10MAPTTSHR
SCHEMBL158627 0.75 KMT2A (1.00) ALDH1A1MAPK1HSD17B10MAPTTSHR
SCHEMBL4942644 0.75 KMT2A (0.53) ALDH1A1MAPK1HSD17B10MAPTTSHR
Bromide SCHEMBL22749605 0.73 KMT2A (0.95) ALDH1A1MAPK1HSD17B10MAPTTSHR
SCHEMBL4940475 0.73 KMT2A (0.51) ALDH1A1MAPK1HSD17B10MAPTTSHR
SCHEMBL15033505 0.72 LMNA (0.97) ALDH1A1MAPK1HSD17B10MAPTTSHR
SCHEMBL4941189 0.72 MAPT (0.76) ALDH1A1MAPK1HSD17B10MAPTTSHR
Bromide SCHEMBL22749617 0.71 CYP1A1 (0.77) ALDH1A1MAPK1HSD17B10MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601846-B2 Compounds having activity as inhibitors of apoptosis THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-10-13 — — US disclosed
US-20080319032-A1 TETRAHYDROBENZOTHIAZOLE ANALOGUES AS NEUROPROTECTIVE AGENTS GREIG NIGEL H 2008-12-25 — — US disclosed
US-20060122178-A1 Compounds having activity as inhibitors of apoptosis REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2006-06-08 — — 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-20060122178-A1 Compounds having activity as inhibitors of apoptosis BAD, CASP3, BAX ALDH1A1 1855/4885MAPK1 1431/4885HSD17B10 2409/4885
US-20080319032-A1 TETRAHYDROBENZOTHIAZOLE ANALOGUES AS NEUROPROTECTIVE AGENTS BAX, BAD, BCL2 ALDH1A1 1031/4885MAPK1 3764/4885HSD17B10 651/4885

“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.

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