SCHEMBL13401067

SCHEMBL13401067

COC(=O)COc1cccc(F)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
KCNN4 O15554 1/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 1/20 0.42
HPD P32754 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 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
SCHEMBL1137355 0.90 PTGS2 (0.49) PTGS2KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL17936437 0.85 ALDH1A1 (0.45) KMT2ASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL26110946 0.84 KMT2A (0.47) PTGS2KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL30596982 0.84 KMT2A (0.47) PTGS2KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL25293041 0.80 MAPT (0.44) KMT2ASMN1; SMN2KCNN4ALDH1A1MAPT
SCHEMBL27693986 0.79 L3MBTL1 (0.47) KMT2ASMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL5107176 0.79 HPGD (0.56) KMT2ASMN1; SMN2KCNN4ALDH1A1MAPT
SCHEMBL30297160 0.78 TDP1 (0.53) KMT2ASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL6117 0.78 TDP1 (0.53) KMT2ASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL2060423 0.78 NPC1 (0.46) KMT2ASMN1; SMN2KCNN4ALDH1A1MAPT

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-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 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-20100094000-A1 PYRAZOLE COMPOUNDS NR3C2, MC2R, NR3C1 PTGS2 737/4885KMT2A 2289/4885SMN1; SMN2 3919/4885

“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.