SCHEMBL6738699

SCHEMBL6738699

N=c1sc2c(n1Cc1ccccc1)CCCC2

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.54
LMNA P02545 7/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
HTT P42858 4/20 0.51
TSHR P16473 2/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 3/20 0.48
CYP1A1 P04798 2/20 0.48
CYP1B1 Q16678 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42

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 SCHEMBL4940376 0.98 SLC2A1 (0.52) SLC2A1LMNASMN1; SMN2HTTTSHR
Bromide SCHEMBL22749451 0.97 SLC2A1 (0.51) SLC2A1LMNASMN1; SMN2HTTTSHR
SCHEMBL22761785 0.86 SMN1; SMN2 (0.55) SLC2A1LMNASMN1; SMN2HTTTSHR
SCHEMBL22749443 0.86 SMN1; SMN2 (0.64) SLC2A1LMNASMN1; SMN2HTTTSHR
Bromide SCHEMBL4943678 0.85 CYP1A1 (0.64) SLC2A1LMNASMN1; SMN2HTTTSHR
Bromide SCHEMBL22749631 0.85 SMN1; SMN2 (0.57) SLC2A1LMNASMN1; SMN2HTTTSHR
Bromide SCHEMBL4942000 0.85 SMN1; SMN2 (0.55) SLC2A1LMNASMN1; SMN2HTTTSHR
Bromide SCHEMBL22749619 0.84 SMN1; SMN2 (0.61) SLC2A1LMNASMN1; SMN2HTTTSHR
Bromide SCHEMBL22749630 0.84 SMN1; SMN2 (0.52) SLC2A1LMNASMN1; SMN2HTTTSHR
Bromide SCHEMBL31502675 0.82 SMN1; SMN2 (0.47) SLC2A1LMNASMN1; SMN2HTTTSHR

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
WO-2020247336-A1 PIFITHRIN ANALOGUES AND METHODS OF TREATING RETT SYNDROME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-10 WO 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 (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 SLC2A1 666/4885LMNA 1580/4885SMN1; SMN2 60/4885

“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.