SCHEMBL7596229

SCHEMBL7596229

CCC(=O)Nc1c([N+](=O)[O-])ccc(C(=O)O)c1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
FBP1 P09467 2/20 0.40
TSHR P16473 2/20 0.39
DTYMK P23919 1/20 0.38
MAPT P10636 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
HCAR3 P49019 1/20 0.37
GAA P10253 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36

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
SCHEMBL7596218 0.90 LMNA (0.43) KMT2ALMNAL3MBTL1KDM4ESMN1; SMN2
SCHEMBL7594505 0.88 SMN1; SMN2 (0.41) KMT2ALMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL7596958 0.87 KDM4E (0.46) KMT2ALMNAALDH1A1KDM4EMEN1
SCHEMBL7593575 0.87 KDM4C (0.42) KMT2AL3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7910018 0.86 L3MBTL1 (0.49) KMT2ALMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL7593005 0.85 ALDH1A1 (0.43) KMT2ALMNAALDH1A1KDM4EMEN1
SCHEMBL7598810 0.84 RAB9A (0.56) KMT2ALMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL7593567 0.83 RAB9A (0.37) LMNAL3MBTL1ALDH1A1KDM4EFBP1
SCHEMBL7916876 0.83 POLB (0.48) KMT2AL3MBTL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL7594876 0.81 ALDH1A1 (0.41) KMT2ALMNAALDH1A1SMN1; SMN2MEN1

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-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives OSI PHARMACEUTICALS, INC. 2002-06-27 US disclosed
US-6348032-B1 POTENT COMPOUNDS THAT INDUCE APOPTOSIS IN NEOPLASTIC CELLS (BUT NOT SUBSTANTIALLY IN NORMAL CELLS), WITHOUT SUBSTANTIALLY INHIBITING PGE-2. CELL PATHWAYS, INC. 2002-02-19 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-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives MKI67, CCNI, TMBIM6 KMT2A 1590/4885LMNA 225/4885L3MBTL1 1792/4885

“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.