SCHEMBL9103471

SCHEMBL9103471

CCOC(=O)[C@H](Cc1cccc(C#N)c1[N+](=O)[O-])N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
AAK1 Q2M2I8 1/20 0.35
MAPT P10636 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
MEN1 O00255 3/20 0.34
NPC1 O15118 1/20 0.34
KDM4E B2RXH2 4/20 0.34
NLRP3 Q96P20 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL9103467 1.00 KMT2A (0.41) KMT2ASMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL10067851 0.83 L3MBTL1 (0.37) KMT2ASMN1; SMN2L3MBTL1ALDH1A1GAA
SCHEMBL2141753 0.82 EPHX2 (0.42) KMT2AALDH1A1AAK1MEN1NPC1
SCHEMBL3775975 0.78 NPC1 (0.41) KMT2ASMN1; SMN2LMNAALDH1A1AAK1
SCHEMBL8421394 0.74 MAPT (0.41) KMT2ASMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL3819101 0.74 RAB9A (0.47) KMT2ASMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL8423235 0.74 MAPT (0.41) KMT2ASMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL27559407 0.74 MEN1 (0.43) KMT2ASMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL25321456 0.74 AAK1 (0.58) KMT2ASMN1; SMN2ALDH1A1AAK1TDP1
SCHEMBL3781586 0.73 AAK1 (0.52) KMT2ASMN1; SMN2ALDH1A1GAAAAK1

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-8487104-B2 KAT II inhibitors PFIZER INC. (US) 2013-07-16 US disclosed
US-20120142729-A1 KAT ll INHIBITORS PFIZER INC. 2012-06-07 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-20120142729-A1 KAT ll INHIBITORS KAT7, KAT2A, KATNA1 KMT2A 68/4885SMN1; SMN2 3322/4885LMNA 3207/4885

“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.