SCHEMBL7590085

SCHEMBL7590085

CCC(Cc1ccccc1C#N)C(=O)Nc1cc(C(=O)O)ccc1C(C)[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 2/20 0.39
HCAR3 P49019 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
F11 P03951 2/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
TAS2R14 Q9NYV8 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2A1 P68400 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL7591621 0.86 ALDH1A1 (0.43) HCAR3SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL7595228 0.86 KMT2A (0.40) HCAR3SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL7593562 0.85 KMT2A (0.43) LMNAHCAR3SMN1; SMN2KMT2AMEN1
SCHEMBL7590643 0.79 MEN1 (0.43) L3MBTL1LMNAHCAR3KMT2AMEN1
SCHEMBL7592920 0.79 ALDH1A1 (0.42) HCAR3KMT2AMEN1ALDH1A1KDM4E
SCHEMBL7595990 0.78 ALDH1A1 (0.41) LMNAHCAR3KMT2AMEN1ALDH1A1
SCHEMBL7592996 0.78 POLB (0.53) L3MBTL1LMNAHCAR3SMN1; SMN2KMT2A
SCHEMBL7596953 0.77 HCAR3 (0.48) L3MBTL1LMNAHCAR3KMT2AALDH1A1
SCHEMBL6170417 0.76 KMT2A (0.46) L3MBTL1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL7593606 0.75 HCAR3 (0.46) LMNAHCAR3KMT2AMEN1ALDH1A1

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 L3MBTL1 1792/4885LMNA 225/4885HCAR3 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.