SCHEMBL7592167

SCHEMBL7592167

CC(c1ccc(C(=O)O)cc1NC(=O)COCCc1ccc(OCc2ccccc2)cc1)[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
MAPT P10636 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MYC P01106 1/20 0.41
MAX P61244 1/20 0.41
PLA2G4B P0C869 2/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RXRA P19793 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
SCHEMBL7600441 0.90 LTB4R (0.51) LNPEPRAB9ALMNANR1H4NR4A1
SCHEMBL7591176 0.89 LTB4R (0.50) SMN1; SMN2ALDH1A1RAB9ALMNAMAPT
SCHEMBL7598800 0.80 LTB4R (0.54) SMN1; SMN2ALDH1A1RAB9ALMNAMAPT
SCHEMBL7591514 0.77 LTB4R (0.55) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL6197844 0.77 LMNA (0.51) LNPEPSMN1; SMN2ALDH1A1RAB9ALMNA
SCHEMBL7594892 0.77 LTB4R (0.62) ALDH1A1RAB9ALMNAMAPT
SCHEMBL7595238 0.75 LTB4R (0.49) ALDH1A1RAB9ALMNAMAPTMYC
SCHEMBL7591464 0.72 LTB4R (0.51) SMN1; SMN2ALDH1A1RAB9ALMNAMAPT
SCHEMBL7593949 0.72 LTB4R (0.48) ALDH1A1RAB9ALMNANR1H4MAPT
SCHEMBL7600452 0.71 LTB4R (0.48) LNPEPRAB9ALMNANR1H4NR4A1

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 LNPEP 3436/4885SMN1; SMN2 4367/4885ALDH1A1 487/4885

“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.