SCHEMBL7593083

SCHEMBL7593083

CCC(=O)Nc1ccc(C(=O)O)cc1CC[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 11/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 2/20 0.46
APOBEC3A P31941 1/20 0.46
RECQL P46063 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 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
SCHEMBL7593459 0.87 ALDH1A1 (0.47) HCAR3KMT2AMEN1MAPTPOLB
SCHEMBL27845365 0.84 HCAR3 (0.58) HCAR3KMT2AMEN1MAPTALDH1A1
SCHEMBL7593018 0.81 MAPT (0.47) KMT2AMEN1MAPTPOLBAPOBEC3A
SCHEMBL27751822 0.81 ALDH1A1 (0.42) HCAR3MAPTPOLBALDH1A1CYP1A2
SCHEMBL7596215 0.80 ALDH1A1 (0.51) HCAR3KMT2AMEN1MAPTPOLB
SCHEMBL6172138 0.79 HCAR3 (0.70) HCAR3KMT2AMEN1MAPT
SCHEMBL7593566 0.77 KMT2A (0.46) HCAR3KMT2AMEN1POLBALDH1A1
SCHEMBL5063149 0.76 TSHR (0.55) HCAR3KMT2AMEN1POLBTDP1
SCHEMBL7593521 0.76 ALDH1A1 (0.47) HCAR3KMT2AMEN1MAPTPOLB
SCHEMBL27879474 0.76 HCAR3 (0.55) HCAR3KMT2AMEN1MAPTPOLB

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 3869/4885KMT2A 1590/4885MEN1 1677/4885

“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.