SCHEMBL4940830

SCHEMBL4940830

COc1ccccc1C(=O)Cn1c2c(sc1=N)CCCC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.63
▸ MAPK1 P28482 3/20 0.63
▸ MEN1 O00255 3/20 0.63
▸ ALDH1A1 P00352 3/20 0.63
▸ CYP1A1 P04798 2/20 0.63
▸ CYP1B1 Q16678 2/20 0.63
▸ TSHR P16473 2/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ TP53 P04637 1/20 0.63
▸ CYP3A4 P08684 1/20 0.63
▸ MAPT P10636 1/20 0.63
▸ ALOX15 P16050 1/20 0.63
▸ HSD17B10 Q99714 1/20 0.63
▸ HDAC6 Q9UBN7 1/20 0.63
▸ FABP4 P15090 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ CTNNB1 P35222 2/20 0.39
▸ WNT3A P56704 2/20 0.39
▸ L3MBTL1 Q9Y468 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
SCHEMBL13650924 0.72 MAPT (0.77) KMT2AMAPK1MEN1ALDH1A1CYP1A1
SCHEMBL4940475 0.70 KMT2A (0.51) KMT2AMAPK1MEN1ALDH1A1CYP1A1
SCHEMBL8801055 0.67 CYP2C19 (0.47) KMT2AMAPK1MEN1ALDH1A1TSHR
Bromide SCHEMBL4943678 0.65 CYP1A1 (0.64) KMT2AMAPK1MEN1ALDH1A1CYP1A1
SCHEMBL15979734 0.65 CTNNB1 (0.71) KMT2AALDH1A1SMN1; SMN2NPC1HTT
SCHEMBL21128714 0.65 NPC1 (0.83) KMT2AMEN1ALDH1A1SMN1; SMN2TP53
SCHEMBL29987209 0.65 NPC1 (0.83) KMT2AMEN1ALDH1A1SMN1; SMN2TP53
SCHEMBL10107608 0.64 CHRM3 (0.52) KMT2AALDH1A1TSHRMAPTNPC1
SCHEMBL1448202 0.63 NPC1 (0.64) KMT2AALDH1A1SMN1; SMN2TP53NPC1
SCHEMBL878658 0.63 NPC1 (0.64) KMT2AALDH1A1SMN1; SMN2TP53NPC1

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 KMT2A 3909/4885MAPK1 3764/4885MEN1 3783/4885
US-20080319032-A1 TETRAHYDROBENZOTHIAZOLE ANALOGUES AS NEUROPROTECTIVE AGENTS BAX, BAD, BCL2 KMT2A 3909/4885MAPK1 3764/4885MEN1 3783/4885

“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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