SCHEMBL4940475

SCHEMBL4940475

N=c1sc2c(n1CC(=O)Oc1ccc(-c3ccccc3)cc1)CCCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ MAPT P10636 3/20 0.51
▸ CYP1A1 P04798 2/20 0.51
▸ CYP1B1 Q16678 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ PTGS2 P35354 3/20 0.40
▸ ASAH1 Q13510 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.37
▸ NPC1 O15118 2/20 0.36

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
SCHEMBL4940049 0.86 MAPT (0.69) KMT2ASMN1; SMN2ALDH1A1MAPTCYP1A1
SCHEMBL4942644 0.86 KMT2A (0.53) KMT2ASMN1; SMN2ALDH1A1MAPTCYP1A1
SCHEMBL14113975 0.82 SMN1; SMN2 (0.74) KMT2ASMN1; SMN2ALDH1A1MAPTCYP1A1
SCHEMBL3863610 0.73 ALDH1A1 (0.60) KMT2ASMN1; SMN2ALDH1A1MAPTCYP1A1
SCHEMBL4941189 0.72 MAPT (0.76) KMT2ASMN1; SMN2ALDH1A1MAPTCYP1A1
Bromide SCHEMBL3863605 0.72 CYP1A1 (0.60) KMT2ASMN1; SMN2ALDH1A1MAPTCYP1A1
SCHEMBL4940830 0.70 KMT2A (0.63) KMT2ASMN1; SMN2ALDH1A1MAPTCYP1A1
SCHEMBL6738699 0.69 SLC2A1 (0.54) KMT2ASMN1; SMN2ALDH1A1MAPTCYP1A1
SCHEMBL4944007 0.69 MAPT (0.64) KMT2ASMN1; SMN2ALDH1A1MAPTCYP1A1
SCHEMBL4942836 0.68 ALDH1A1 (0.77) KMT2ASMN1; SMN2ALDH1A1MAPTCYP1A1

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 KMT2A 3909/4885SMN1; SMN2 60/4885ALDH1A1 1031/4885
US-20080319032-A1 TETRAHYDROBENZOTHIAZOLE ANALOGUES AS NEUROPROTECTIVE AGENTS BAX, BAD, BCL2 KMT2A 3909/4885SMN1; SMN2 60/4885ALDH1A1 1031/4885

“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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