SCHEMBL7598666

SCHEMBL7598666

CC(NC(=O)Cc1ccccc1)c1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HCAR3 P49019 9/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
PKM P14618 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 1/20 0.46
CASP6 P55212 1/20 0.46

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
SCHEMBL7910007 0.91 MEN1 (0.50) MEN1KMT2AHCAR3L3MBTL1PKM
SCHEMBL6559027 0.83 ATM (0.49) MEN1KMT2AHCAR3ALDH1A1KDM4E
SCHEMBL6559021 0.83 ATM (0.49) MEN1KMT2AHCAR3ALDH1A1KDM4E
SCHEMBL14735881 0.81 HCAR3 (0.57) MEN1KMT2AHCAR3TSHRCASP6
SCHEMBL6560128 0.81 HCAR3 (0.57) MEN1KMT2AHCAR3TSHRCASP6
SCHEMBL6560138 0.81 HCAR3 (0.57) MEN1KMT2AHCAR3TSHRCASP6
SCHEMBL6560146 0.81 HCAR3 (0.57) MEN1KMT2AHCAR3TSHRCASP6
SCHEMBL7922373 0.78 KMT2A (0.49) MEN1KMT2AHCAR3ALDH1A1SMN1; SMN2
SCHEMBL29276459 0.77 HCAR3 (0.52) MEN1KMT2AHCAR3TSHRCASP6
SCHEMBL7596223 0.76 HCAR3 (0.53) MEN1KMT2AHCAR3ALDH1A1TSHR

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 3 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
US-6211177-B1 SIDE EFFECT REDUCTION CELL PATHWAYS, INC. 2001-04-03 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 MEN1 1677/4885KMT2A 1590/4885HCAR3 3869/4885

“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.