SCHEMBL4940049

SCHEMBL4940049

Cc1ccc(OC(=O)Cn2c3c(sc2=N)CCCC3)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.69
▸ ALDH1A1 P00352 3/20 0.69
▸ CYP1A1 P04798 2/20 0.69
▸ CYP1B1 Q16678 2/20 0.69
▸ HSD17B10 Q99714 2/20 0.69
▸ HDAC6 Q9UBN7 2/20 0.69
▸ KMT2A Q03164 2/20 0.69
▸ SMN1; SMN2 Q16637 2/20 0.69
▸ TP53 P04637 2/20 0.69
▸ MEN1 O00255 1/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ ALOX15 P16050 1/20 0.69
▸ TSHR P16473 1/20 0.69
▸ MAPK1 P28482 1/20 0.69
▸ LMNA P02545 5/20 0.38
▸ GAA P10253 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4942644 0.88 KMT2A (0.53) MAPTALDH1A1CYP1A1CYP1B1HSD17B10
SCHEMBL4940475 0.86 KMT2A (0.51) MAPTALDH1A1CYP1A1CYP1B1HSD17B10
SCHEMBL158627 0.81 KMT2A (1.00) MAPTALDH1A1CYP1A1CYP1B1HSD17B10
Bromide SCHEMBL3622970 0.81 CYP1A1 (1.00) MAPTALDH1A1CYP1A1CYP1B1HSD17B10
SCHEMBL3863610 0.80 ALDH1A1 (0.60) MAPTALDH1A1CYP1A1CYP1B1HSD17B10
Bromide SCHEMBL31502661 0.80 CYP1A1 (0.98) MAPTALDH1A1CYP1A1CYP1B1HSD17B10
Bromide SCHEMBL22749605 0.80 KMT2A (0.95) MAPTALDH1A1CYP1A1CYP1B1HSD17B10
Bromide SCHEMBL3863605 0.79 CYP1A1 (0.60) MAPTALDH1A1CYP1A1CYP1B1HSD17B10
Bromide SCHEMBL31502664 0.78 CYP1A1 (0.95) MAPTALDH1A1CYP1A1CYP1B1HSD17B10
SCHEMBL4941189 0.76 MAPT (0.76) MAPTALDH1A1CYP1A1CYP1B1HSD17B10

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 2 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

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 240/4885ALDH1A1 1031/4885CYP1A1 2492/4885
US-20080319032-A1 TETRAHYDROBENZOTHIAZOLE ANALOGUES AS NEUROPROTECTIVE AGENTS BAX, BAD, BCL2 MAPT 240/4885ALDH1A1 1031/4885CYP1A1 2492/4885

“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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