SCHEMBL6370648

SCHEMBL6370648

Cc1cc(O)ccc1NC(=S)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.64
GAA P10253 7/20 0.64
TDP1 Q9NUW8 4/20 0.64
ALDH1A1 P00352 9/20 0.63
NPSR1 Q6W5P4 5/20 0.63
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C19 P33261 2/20 0.60
POLB P06746 1/20 0.60
CYP2C9 P11712 1/20 0.60
XBP1 P17861 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.58
KDM4E B2RXH2 2/20 0.57
LMNA P02545 3/20 0.57
IDO1 P14902 1/20 0.57
RAF1 P04049 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.56

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
SCHEMBL3676521 0.85 TRPV1 (0.67) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL6378836 0.84 ALDH1A1 (0.67) MAPTGAATDP1ALDH1A1NPSR1
SCHEMBL7003454 0.82 RAPGEF4 (0.60) MAPTGAATDP1ALDH1A1NPSR1
SCHEMBL7175227 0.82 MAPT (0.86) MAPTGAATDP1ALDH1A1NPSR1
SCHEMBL22567938 0.80 MAPT (0.78) MAPTGAATDP1ALDH1A1NPSR1
SCHEMBL22065211 0.79 MAPT (0.72) MAPTGAATDP1ALDH1A1NPSR1
SCHEMBL8368225 0.79 MAPT (0.66) MAPTGAATDP1ALDH1A1NPSR1
SCHEMBL22024506 0.79 SMN1; SMN2 (0.64) MAPTGAATDP1ALDH1A1NPSR1
SCHEMBL22024988 0.78 MAPT (0.62) MAPTGAATDP1ALDH1A1NPSR1
SCHEMBL22024982 0.78 SMN1; SMN2 (0.75) MAPTGAATDP1ALDH1A1NPSR1

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 1550/4885GAA 2909/4885TDP1 1321/4885
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 MAPT 1550/4885GAA 2909/4885TDP1 1321/4885
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 MAPT 1550/4885GAA 2909/4885TDP1 1321/4885
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA7, CHRNA1, CHRNA5 MAPT 1395/4885GAA 2148/4885TDP1 2203/4885

“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.