SCHEMBL7591176

SCHEMBL7591176

CC(c1ccc(C(=O)O)cc1NC(=O)COCCc1ccc(-c2ccccc2)cc1)[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.50
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 2/20 0.38
HCAR2 Q8TDS4 4/20 0.38
HDAC1 Q13547 2/20 0.37
ALDH1A1 P00352 2/20 0.37
THRB P10828 1/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
HCAR3 P49019 1/20 0.37
LMNA P02545 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 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
SCHEMBL7592167 0.89 LNPEP (0.47) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL7594892 0.87 LTB4R (0.62) LTB4RRAB9AMAPTHCAR2ALDH1A1
SCHEMBL7594866 0.83 L3MBTL1 (0.38) NPC1RAB9AL3MBTL1SMN1; SMN2KDM4E
SCHEMBL7598800 0.82 LTB4R (0.54) LTB4RNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7593563 0.81 HCAR3 (0.46) LTB4RNPC1RAB9ASMN1; SMN2POLB
SCHEMBL7597821 0.79 MME (0.44) LTB4RNPC1RAB9AMAPTHDAC1
SCHEMBL7591464 0.78 LTB4R (0.51) LTB4RNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7600441 0.78 LTB4R (0.51) LTB4RRAB9AMAPTLMNA
SCHEMBL7591514 0.78 LTB4R (0.55) LTB4RMAPTHSD17B10POLBHCAR2
SCHEMBL7594764 0.77 LTB4R (0.47) LTB4RRAB9AMAPTHCAR2ALDH1A1

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 LTB4R 1803/4885NPC1 827/4885RAB9A 3277/4885

“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.