SCHEMBL4942836

SCHEMBL4942836

N=c1sc2c(n1CC(=O)c1ccc(F)cc1)CCCC2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.77
TP53 P04637 3/20 0.77
KMT2A Q03164 3/20 0.77
MAPT P10636 3/20 0.77
SMN1; SMN2 Q16637 3/20 0.77
CYP1A1 P04798 2/20 0.77
CYP1B1 Q16678 2/20 0.77
HSD17B10 Q99714 2/20 0.77
MEN1 O00255 2/20 0.77
CYP3A4 P08684 2/20 0.77
TSHR P16473 2/20 0.77
ALOX15 P16050 1/20 0.77
MAPK1 P28482 1/20 0.77
HDAC6 Q9UBN7 1/20 0.77
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
IDO1 P14902 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL158627 0.87 KMT2A (1.00) ALDH1A1TP53KMT2AMAPTSMN1; SMN2
SCHEMBL5553156 0.87 MAPT (0.77) ALDH1A1TP53KMT2AMAPTSMN1; SMN2
SCHEMBL13650924 0.87 MAPT (0.77) ALDH1A1TP53KMT2AMAPTSMN1; SMN2
SCHEMBL4941971 0.87 ALDH1A1 (0.77) ALDH1A1TP53KMT2AMAPTSMN1; SMN2
SCHEMBL13650867 0.86 KMT2A (0.69) ALDH1A1TP53KMT2AMAPTSMN1; SMN2
SCHEMBL22761851 0.86 CYP1A1 (0.72) ALDH1A1TP53KMT2AMAPTSMN1; SMN2
Bromide SCHEMBL3622970 0.86 CYP1A1 (1.00) ALDH1A1TP53KMT2AMAPTSMN1; SMN2
Bromide SCHEMBL22749642 0.85 CYP1A1 (0.73) ALDH1A1TP53KMT2AMAPTSMN1; SMN2
SCHEMBL13650897 0.85 MAPT (0.64) ALDH1A1TP53KMT2AMAPTSMN1; SMN2
Bromide SCHEMBL22749605 0.85 KMT2A (0.95) ALDH1A1TP53KMT2AMAPTSMN1; SMN2

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 ALDH1A1 1031/4885TP53 867/4885KMT2A 3909/4885
US-20080319032-A1 TETRAHYDROBENZOTHIAZOLE ANALOGUES AS NEUROPROTECTIVE AGENTS BAX, BAD, BCL2 ALDH1A1 1031/4885TP53 867/4885KMT2A 3909/4885

“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.