SCHEMBL7596740

SCHEMBL7596740

CC(c1ccc(C(=O)O)cc1NC(=O)CCc1ccc(Cl)cc1Cl)[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
F10 P00742 4/20 0.42
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
LTB4R Q15722 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SELL P14151 1/20 0.39
SELP P16109 1/20 0.39
SELE P16581 1/20 0.39
PDPK1 O15530 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR4A2 P43354 1/20 0.38
MAPT P10636 2/20 0.37
F11 P03951 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7593523 0.89 LTB4R (0.45) LMNATNKSTNKS2LTB4RALDH1A1
SCHEMBL7594866 0.88 L3MBTL1 (0.38) LMNAALDH1A1KDM4ESMN1; SMN2NR4A2
SCHEMBL7594869 0.84 LTB4R (0.41) LMNATNKSTNKS2LTB4RALDH1A1
SCHEMBL7593587 0.83 TRPV1 (0.45) LMNALTB4RALDH1A1SELLSELP
SCHEMBL7594764 0.82 LTB4R (0.47) LMNALTB4RALDH1A1SELLSELP
SCHEMBL7593031 0.82 SELL (0.44) LMNALTB4RALDH1A1SELLSELP
SCHEMBL7596183 0.82 LTB4R (0.47) LMNAF10LTB4RALDH1A1SELL
SCHEMBL7598800 0.81 LTB4R (0.54) LMNALTB4RALDH1A1SELLSELP
SCHEMBL7590094 0.81 LTB4R (0.43) LMNALTB4RALDH1A1MAPTMEN1
SCHEMBL7596213 0.81 ALDH1A1 (0.51) LMNALTB4RALDH1A1KDM4ESELL

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 LMNA 225/4885F10 4561/4885TNKS 236/4885

“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.