SCHEMBL86299

SCHEMBL86299

CN1Cc2ccccc2C(=O)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
CES1 P23141 8/20 0.48
TTR P02766 1/20 0.48
BCHE P06276 3/20 0.47
KMT2A Q03164 3/20 0.46
EGFR P00533 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
ALDH1A1 P00352 2/20 0.43
ALDH3A1 P30838 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ALDH2 P05091 1/20 0.42
ACHE P22303 1/20 0.42
CDC25A P30304 1/20 0.41
CASP3 P42574 1/20 0.41
CASP6 P55212 1/20 0.41

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
Ethylene SCHEMBL7815591 0.96 MAOA (0.47) MAOACES1TTRBCHEKMT2A
Methylmalonic Acid SCHEMBL11477458 0.87 SMN1; SMN2 (0.43) MAOACES1TTRKMT2AEGFR
SCHEMBL3800178 0.84 KMT2A (0.42) MAOAKMT2ALMNAMAPTBRD4
SCHEMBL86309 0.82 S100A4 (0.44) CES1TTRBCHEKMT2AEGFR
SCHEMBL11400903 0.80 ALDH1A1 (0.43) MAOACES1KMT2AMAPTBRD4
SCHEMBL24180108 0.79 SMN1; SMN2 (0.41) MAOAKMT2ALMNAMAPTBRD4
SCHEMBL11467896 0.79 S100A4 (0.50) MAOATTRKMT2ALMNAMAPT
SCHEMBL22019109 0.78 ADRA2C (0.38) MAOAKMT2ALMNAMAPTBRD4
SCHEMBL24215819 0.78 SLC6A4 (0.45) MAOAKMT2ABRD4CREBBPALDH1A1
SCHEMBL23197417 0.76 BRD4 (0.40) MAOAKMT2ALMNAMAPTBRD4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129447-B2 Ink composition and inkjet recording method using the same FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-8129447-B2 Ink composition and inkjet recording method using the same FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
US-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
EP-0869954-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF NEUROGENIC INFLAMMATION NOVO NORDISK AS (DK) 2001-09-19 EP disclosed
EP-0869954-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-10-14 EP disclosed
WO-1996031499-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 WO disclosed
US-4230703-A ANALGESICS; ANTIINFLAMMATORY AGENTS TEIKOKU HORMONE MFG. CO., LTD. (JP) 1980-10-28 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-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME RB1, IK, NOX1 MAOA 415/4885CES1 4279/4885TTR 4297/4885

“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.