SCHEMBL694183

SCHEMBL694183

Cc1ccc(C)c(Sc2ccc(C#N)cc2N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.51
SLC6A3 Q01959 8/20 0.51
SLC6A2 P23975 8/20 0.51
AR P10275 1/20 0.48
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 4/20 0.40
CYP2A6 P11509 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL13113141 0.76 AR (0.43) ARALDH1A1CYP2A6GAAMEN1
SCHEMBL694462 0.76 AR (0.46) ARALDH1A1CYP2A6GAAMEN1
SCHEMBL694367 0.76 VCAM1 (0.48) SLC6A4SLC6A3SLC6A2ARALDH1A1
SCHEMBL178452 0.74 ALDH1A1 (0.50) SLC6A4SLC6A3SLC6A2ARALDH1A1
SCHEMBL29502034 0.74 ALDH1A1 (0.50) SLC6A4SLC6A3SLC6A2ARALDH1A1
SCHEMBL29823896 0.74 HSD17B10 (0.58) NPC1RAB9AALDH1A1CYP2A6TDP1
SCHEMBL2728633 0.74 HSD17B10 (0.58) NPC1RAB9AALDH1A1CYP2A6TDP1
SCHEMBL14780826 0.73 AR (0.40) SLC6A4SLC6A3SLC6A2ARALDH1A1
SCHEMBL6516138 0.73 SLC6A2 (0.49) SLC6A4SLC6A3SLC6A2ARNPC1
Hydrochloric Acid SCHEMBL6476027 0.73 ALDH1A1 (0.48) SLC6A4SLC6A3SLC6A2ARALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421829-B1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS INC (US) 2015-09-30 EP disclosed
CN-104177313-A 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS INC 2014-12-03 CN disclosed
EP-2727908-A2 2,5-disubstituted arylsulfonamide CCR3 antagonists Axikin Pharmaceuticals, Inc. (US) 2014-05-07 EP disclosed
US-8669247-B2 2,5-disubstituted arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
US-8669247-B2 2,5-disubstituted arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
US-8669247-B2 2,5-disubstituted arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
US-20130225565-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20130225565-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20130225565-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8399456-B2 2,5-disubstituted arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-8399456-B2 2,5-disubstituted arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-8399456-B2 2,5-disubstituted arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
CN-102459178-A 2, 5-disubstituted arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS INC 2012-05-16 CN disclosed
EP-2421829-A2 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS Axikin Pharmaceuticals, Inc. (US) 2012-02-29 EP disclosed
US-20100273782-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2010-10-28 US disclosed
US-20100273782-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2010-10-28 US disclosed
US-20100273782-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2010-10-28 US disclosed
WO-2010123956-A2 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2010-10-28 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 (2 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-20130225565-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS CCR3, CCR1, CCR4 SLC6A4 1424/4885SLC6A3 312/4885SLC6A2 2007/4885
US-20100273782-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS CCR3, CCR1, CCR4 SLC6A4 1424/4885SLC6A3 312/4885SLC6A2 2007/4885

“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.