SCHEMBL6738331

SCHEMBL6738331

N=c1sc2c(n1CC1CC1)CCCC2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.45
CYP1B1 Q16678 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
PDE1A P54750 2/20 0.34
PDE1B Q01064 2/20 0.34
PDE4D Q08499 2/20 0.34
PDE1C Q14123 2/20 0.34

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 SCHEMBL4939908 0.98 CYP1A1 (0.46) CYP1A1CYP1B1MEN1ALDH1A1TP53
Bromide SCHEMBL4940305 0.70 CYP1A1 (0.48) CYP1A1CYP1B1MEN1ALDH1A1TP53
Bromide SCHEMBL962536 0.69 CYP1A1 (0.47) CYP1A1CYP1B1MEN1ALDH1A1TP53
SCHEMBL22749443 0.68 SMN1; SMN2 (0.64) CYP1A1CYP1B1MEN1ALDH1A1TP53
SCHEMBL22761785 0.68 SMN1; SMN2 (0.55) CYP1A1CYP1B1MEN1ALDH1A1TP53
Bromide SCHEMBL4943678 0.67 CYP1A1 (0.64) CYP1A1CYP1B1MEN1ALDH1A1TP53
Bromide SCHEMBL22749451 0.67 SLC2A1 (0.51) CYP1A1CYP1B1MEN1ALDH1A1TP53
Bromide SCHEMBL22749631 0.67 SMN1; SMN2 (0.57) CYP1A1CYP1B1MEN1ALDH1A1TP53
Bromide SCHEMBL22749619 0.66 SMN1; SMN2 (0.61) CYP1A1CYP1B1MEN1ALDH1A1TP53
Bromide SCHEMBL22749630 0.66 SMN1; SMN2 (0.52) CYP1A1CYP1B1MEN1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 CYP1A1 2492/4885CYP1B1 1165/4885MEN1 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.