SCHEMBL9609035

SCHEMBL9609035

O=[N+]([O-])c1cnc(N[C@@H]2CCCc3ccccc32)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 2/20 0.44
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
ADRA1A P35348 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HDAC6 Q9UBN7 1/20 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
SCHEMBL9609033 0.79 LMNA (0.51) KDM4EALDH1A1LMNASMN1; SMN2ALOX15
SCHEMBL28511892 0.75 KDM4E (0.64) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL29789626 0.73 MEN1 (0.66) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL3564275 0.73 MEN1 (0.66) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL7482315 0.71 RAB9A (0.50) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL7482963 0.70 KMT2A (0.52) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL30142755 0.70 STAT3 (0.69) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL29057040 0.70 STAT3 (0.69) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL21821538 0.69 LMNA (0.60) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL8543534 0.68 PRKCQ (0.51) KDM4EALDH1A1MEN1KMT2ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457896-A1 Tripeptides as caspase modulators Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed
EP-2457895-A1 Tetrapeptide analogs Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed
US-20100190688-A1 Tetrapeptide analogs IDUN PHARMACEUTICALS, INC. 2010-07-29 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-20100190688-A1 Tetrapeptide analogs TP53, PCNA, HRAS KDM4E 4215/4885ALDH1A1 4425/4885MEN1 490/4885

“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.