SCHEMBL6370472

SCHEMBL6370472

COc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.72
MEN1 O00255 3/20 0.72
HTT P42858 3/20 0.72
KMT2A Q03164 3/20 0.72
GAA P10253 2/20 0.72
LMNA P02545 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
NPSR1 Q6W5P4 1/20 0.72
ALDH1A1 P00352 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
RAB9A P51151 1/20 0.71
KDR P35968 5/20 0.69
MAPK14 Q16539 4/20 0.69
TNNI3K Q59H18 4/20 0.69
TP53 P04637 1/20 0.69
TSHR P16473 1/20 0.69
BRAF P15056 3/20 0.69
NPC1 O15118 1/20 0.67
CDK8 P49336 3/20 0.64
CCNC P24863 1/20 0.64

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
SCHEMBL1463480 0.89 MAPT (0.67) MAPTMEN1HTTKMT2ALMNA
SCHEMBL20568765 0.86 KMT2A (0.72) MAPTMEN1HTTKMT2ALMNA
SCHEMBL4548157 0.85 MAPT (0.79) MAPTMEN1HTTKMT2AGAA
SCHEMBL5597699 0.85 KMT2A (0.90) MAPTMEN1HTTKMT2AGAA
SCHEMBL30101230 0.85 KMT2A (0.90) MAPTMEN1HTTKMT2AGAA
SCHEMBL23447712 0.85 MAPT (0.63) MAPTMEN1HTTKMT2AGAA
SCHEMBL20568683 0.85 MEN1 (0.74) MAPTMEN1HTTKMT2ALMNA
SCHEMBL6372247 0.85 GSK3A (0.66) MAPTMEN1HTTKMT2ALMNA
SCHEMBL8370207 0.85 GSK3A (0.66) MAPTMEN1HTTKMT2AGAA
SCHEMBL1462402 0.85 NTRK1 (0.69) MAPTMEN1HTTKMT2ALMNA

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-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2005-11-10 US claimed
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
WO-2003093250-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY (US) 2003-11-13 WO claimed
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2005-11-10 US disclosed
US-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-16 US disclosed
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-09 US disclosed
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003093250-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY (US) 2003-11-13 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 (4 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-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 MAPT 1550/4885MEN1 2842/4885HTT 1718/4885
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 MAPT 1550/4885MEN1 2842/4885HTT 1718/4885
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 MAPT 1550/4885MEN1 2842/4885HTT 1718/4885
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA7, CHRNA1, CHRNA5 MAPT 1395/4885MEN1 3930/4885HTT 1811/4885

“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.