SCHEMBL3604245

SCHEMBL3604245

O=C(Cc1csc(N(C(=O)O)C(F)(F)c2ccc(F)c(F)c2F)n1)Nc1ncc([N+](=O)[O-])s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.46
KMT2A Q03164 11/20 0.46
RAB9A P51151 9/20 0.46
MAPT P10636 8/20 0.46
LMNA P02545 7/20 0.46
NPC1 O15118 7/20 0.46
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HTT P42858 4/20 0.46
CASP7 P55210 2/20 0.41
CASP6 P55212 2/20 0.41
ALPL P05186 2/20 0.41
NSD2 O96028 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
CASP8 Q14790 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPY1R P25929 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40

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
SCHEMBL3604243 0.77 MEN1 (0.48) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL3604446 0.77 MAPT (0.39) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL3604249 0.76 MEN1 (0.44) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL3618266 0.73 HDAC6 (0.35) LMNAALDH1A1
SCHEMBL5602524 0.72 RAB9A (0.58) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL5488695 0.69 KMT2A (0.57) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL8246883 0.68 LMNA (0.49) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL13694246 0.65 MEN1 (0.77) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL13694243 0.65 MEN1 (0.62) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL5485450 0.61 RAB9A (0.77) MEN1KMT2ARAB9AMAPTLMNA

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-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 US claimed
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 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-20100152188-A1 Novel Heterocyclic Compounds CYP11B2, CYP3A5, CYP11B1 MEN1 116/4885KMT2A 4019/4885RAB9A 601/4885

“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.