SCHEMBL6430883

SCHEMBL6430883

O=C(Nc1ccc(C(=O)O)cc1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.80
MAPT P10636 3/20 0.80
MEN1 O00255 3/20 0.80
HTT P42858 2/20 0.80
RAB9A P51151 1/20 0.80
EPHX2 P34913 2/20 0.74
IDH1 O75874 1/20 0.67
GRIK1 P39086 6/20 0.65
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
BAZ1A Q9NRL2 1/20 0.61
MTOR P42345 1/20 0.61
BRAF P15056 1/20 0.61
KDR P35968 1/20 0.61
MAPK14 Q16539 1/20 0.61
TNNI3K Q59H18 1/20 0.61
DGAT1 O75907 1/20 0.61

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
SCHEMBL4261676 0.92 MAPK14 (0.74) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL6431565 0.90 MAPT (0.77) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL17609423 0.89 MAPT (1.00) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL30069239 0.89 MAPT (1.00) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL5597699 0.87 KMT2A (0.90) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL30101230 0.87 KMT2A (0.90) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL17664178 0.87 MAPT (0.73) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL8461120 0.87 MAPT (0.75) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL10217915 0.87 KMT2A (0.88) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL4548162 0.86 KMT2A (0.87) KMT2AMAPTMEN1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080112-A1 Compounds for use in disorders associated with mast cell or basophil acitvity POSEIDON PHARMACEUTICALS A/S (DK) 2005-04-14 US claimed
US-20050080112-A1 Compounds for use in disorders associated with mast cell or basophil acitvity POSEIDON PHARMACEUTICALS A/S (DK) 2005-04-14 US disclosed
US-20030148269-A1 Centrifugally-enhanced method of determining ligand/target affinity HOLZMAN THOMAS F (US) 2003-08-07 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO 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-20050080112-A1 Compounds for use in disorders associated with mast cell or basophil acitvity CPA3, HNMT, CMA1 KMT2A 1345/4885MAPT 1603/4885MEN1 903/4885

“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.