SCHEMBL13127444

SCHEMBL13127444

O=[N+]([O-])c1ccc(C#Cc2ccc3scnc3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
ADK P55263 1/20 0.38
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 1/20 0.36
TGM2 P21980 1/20 0.36
ALDH1A1 P00352 6/20 0.35
CYP3A4 P08684 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FFAR1 O14842 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NAMPT P43490 1/20 0.35
XDH P47989 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL29517954 0.83 TXNRD1 (0.51) TXNRD1TXNRD3TXNRD2ALDH1A1CYP3A4
SCHEMBL1011755 0.83 TXNRD1 (0.51) TXNRD1TXNRD3TXNRD2ALDH1A1CYP3A4
SCHEMBL483464 0.82 RAB9A (0.35) ALDH1A1TDP1FFAR1HSD17B10NAMPT
SCHEMBL31106335 0.82 TXNRD1 (0.50) TXNRD1TXNRD3TXNRD2ALDH1A1CYP3A4
SCHEMBL13165180 0.81 MAPT (0.45) CASP3SENP8SENP7SENP6TXNRD1
SCHEMBL13394608 0.77 APP (0.40) ALDH1A1CYP3A4TDP1HTTSMN1; SMN2
SCHEMBL393608 0.77 ALDH1A1 (0.53) TXNRD1TXNRD3TXNRD2ALDH1A1CYP3A4
Ammonia Solution, Strong SCHEMBL9639241 0.75 ALDH1A1 (0.51) TXNRD1TXNRD3TXNRD2ALDH1A1CYP3A4
SCHEMBL14664048 0.74 CASP3 (0.63) CASP3SENP8SENP7SENP6ALDH1A1
Benzo[D]Thiazole SCHEMBL2404928 0.74 ALDH1A1 (0.58) TXNRD1TXNRD3TXNRD2ALDH1A1CYP3A4

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-20100239496-A1 Imaging agents for detecting neurological disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-23 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-20100239496-A1 Imaging agents for detecting neurological disorders MAPT, APP, PSEN1 CASP3 3618/4885SENP8 1387/4885SENP7 1158/4885

“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.