SCHEMBL7593563

SCHEMBL7593563

COCC(=O)Nc1cc(C(=O)O)ccc1C(C)[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.46
CSNK2A2 P19784 1/20 0.43
CSNK2A1 P68400 1/20 0.43
ATM Q13315 1/20 0.41
LTB4R Q15722 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
MYC P01106 1/20 0.40
MAX P61244 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
SCHEMBL7596213 0.84 ALDH1A1 (0.51) HCAR3MEN1KMT2ALTB4RPOLB
SCHEMBL7594499 0.82 HCAR3 (0.47) HCAR3MEN1KMT2AHPGDNPC1
SCHEMBL7591514 0.81 LTB4R (0.55) MEN1KMT2AHPGDLTB4RPOLB
SCHEMBL7591176 0.81 LTB4R (0.50) HCAR3LTB4RNPC1RAB9ASMN1; SMN2
SCHEMBL7598800 0.81 LTB4R (0.54) MEN1KMT2ALTB4RNPC1RAB9A
SCHEMBL7596953 0.80 HCAR3 (0.48) HCAR3KMT2ARAB9A
SCHEMBL7596121 0.79 LTB4R (0.53) MEN1KMT2AHPGDLTB4RNPC1
SCHEMBL7916870 0.79 HCAR3 (0.59) HCAR3MEN1KMT2ANPC1RAB9A
SCHEMBL7594866 0.78 L3MBTL1 (0.38) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL7594892 0.78 LTB4R (0.62) LTB4RRAB9A

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 HCAR3 3869/4885MEN1 1677/4885KMT2A 1590/4885

“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.