SCHEMBL6702771

SCHEMBL6702771

Nc1cccc(NS(=O)(=O)c2ccc3c(c2)C(=NO)c2cc(S(=O)(=O)Nc4cccc(O)c4)ccc2-3)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.54
AURKB Q96GD4 8/20 0.53
KDR P35968 6/20 0.53
AURKA O14965 6/20 0.53
MAP4K4 O95819 1/20 0.53
PAK4 O96013 1/20 0.53
PIM1 P11309 1/20 0.53
LTK P29376 1/20 0.53
MAPK14 Q16539 1/20 0.53
LRRK2 Q5S007 1/20 0.53
ALK Q9UM73 1/20 0.53
HSD17B2 P37059 1/20 0.51
UQCRB P14927 1/20 0.48
POLB P06746 2/20 0.48
PKM P14618 4/20 0.47
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
STAT3 P40763 1/20 0.43

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
SCHEMBL6702766 1.00 HTR6 (0.54) HTR6AURKBKDRAURKAMAP4K4
SCHEMBL6704050 0.93 AURKB (0.59) AURKBKDRAURKAMAP4K4PAK4
SCHEMBL6703746 0.90 AURKB (0.59) AURKBKDRAURKAMAP4K4PAK4
SCHEMBL6704528 0.90 AURKB (0.59) AURKBKDRAURKAMAP4K4PAK4
SCHEMBL6703748 0.90 AURKB (0.59) AURKBKDRAURKAMAP4K4PAK4
SCHEMBL6705017 0.88 HTR6 (0.59) HTR6HSD17B2UQCRBPOLBPKM
SCHEMBL6701392 0.86 STAT3 (0.57) AURKBKDRAURKAMAP4K4PAK4
SCHEMBL6701390 0.86 STAT3 (0.57) AURKBKDRAURKAMAP4K4PAK4
SCHEMBL6702482 0.85 STAT3 (0.56) AURKBKDRAURKAMAP4K4PAK4
SCHEMBL6702181 0.85 HSD17B2 (0.58) HTR6AURKBKDRAURKAMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6693136-B1 DISULFONAMIDE DERIVATIVES; PAIN, URINARY INCONTINENCE, BLADDER OVERACTIVITY ABBOTT LABORATORIES 2004-02-17 US claimed
US-20040019042-A1 FLUORENES AND ANTHRACENES THAT INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS ABBVIE INC. 2004-01-29 US claimed
US-6693136-B1 DISULFONAMIDE DERIVATIVES; PAIN, URINARY INCONTINENCE, BLADDER OVERACTIVITY ABBOTT LABORATORIES 2004-02-17 US disclosed
US-20040019042-A1 FLUORENES AND ANTHRACENES THAT INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS ABBVIE INC. 2004-01-29 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-20040019042-A1 FLUORENES AND ANTHRACENES THAT INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS P2RX3, P2RX1, P2RX2 HTR6 659/4885AURKB 3322/4885KDR 3370/4885

“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.