SCHEMBL172198

SCHEMBL172198

CCN(CC)c1ccc(-c2csc(N)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.54
ALDH1A1 P00352 8/20 0.54
RAB9A P51151 6/20 0.54
MAPT P10636 4/20 0.54
NPC1 O15118 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 2/20 0.54
LMNA P02545 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
MKNK1 Q9BUB5 1/20 0.54
MKNK2 Q9HBH9 1/20 0.54
ALOX5 P09917 1/20 0.54
POLB P06746 2/20 0.54
CYP3A4 P08684 2/20 0.50
GAA P10253 1/20 0.49
NOS1 P29475 1/20 0.49

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
Bromide SCHEMBL6832827 0.98 RAB9A (0.56) LTA4HALDH1A1RAB9AMAPTNPC1
SCHEMBL7035076 0.83 ALDH1A1 (0.58) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL7041674 0.83 LOXL2 (0.45) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
Bromide SCHEMBL6830057 0.82 ALDH1A1 (0.57) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL130078 0.81 ATP4A (0.60) LTA4HALDH1A1RAB9AMAPTNPC1
SCHEMBL1771825 0.80 ALDH1A1 (0.79) LTA4HALDH1A1RAB9AMAPTNPC1
SCHEMBL19625329 0.80 NPC1 (0.43) LTA4HALDH1A1RAB9AMAPTNPC1
SCHEMBL13341093 0.80 NPC1 (0.43) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL7041676 0.80 NPC1 (0.60) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL5702154 0.79 ALDH1A1 (0.56) LTA4HALDH1A1RAB9AMAPTNPC1

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3184527-B1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL LILLY CO ELI (US) 2020-01-29 EP disclosed
CN-104825457-B For treating the method and composition of illness 伊莱利利公司 2019-11-19 CN disclosed
CN-108042542-A For treating the method and composition of illness 海德拉生物科学公司 2018-05-18 CN disclosed
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 US disclosed
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 US disclosed
CN-103751194-B For sanatory method and composition 海德拉生物科学公司 2018-01-05 CN disclosed
EP-3184527-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL Hydra Biosciences, Inc. (US) 2017-06-28 EP disclosed
EP-2170309-B1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL HYDRA BIOSCIENCES INC (US) 2016-10-26 EP disclosed
CN-104825457-A Methods and compositions for treating disorders HYDRA BIOSCIENCES INC 2015-08-12 CN disclosed
CN-101801362-B Methods and compositions for treating disorders HYDRA BIOSCIENCES INC 2014-01-22 CN disclosed
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2009-06-04 US disclosed
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2009-06-04 US disclosed
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2009-06-04 US disclosed
WO-2009002933-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. (US) 2008-12-31 WO disclosed
WO-2009002933-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. (US) 2008-12-31 WO disclosed
CN-101238120-A Urea derivatives, process for their preparation and their use GALAPAGOS SAS (FR) 2008-08-06 CN disclosed
WO-2008057862-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-ϰB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed
EP-1874765-A2 UREA DERIVATIVES METHODS FOR THEIR MANUFACTURE AND USES THEREOF Proskelia SAS (FR) 2008-01-09 EP disclosed
WO-2006117211-A2 UREA DERIVATIVES METHODS FOR THEIR MANUFACTURE AND USES THEREOF PROSKELIA SAS (FR) 2006-11-09 WO disclosed
US-20030158199-A1 Novel compounds for inhibition of Tie-2 KYLIX, B.V. (NL) 2003-08-21 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 (3 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-20030158199-A1 Novel compounds for inhibition of Tie-2 TIE1, TEK, KDR LTA4H 3593/4885ALDH1A1 1890/4885RAB9A 3641/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 LTA4H 258/4885ALDH1A1 968/4885RAB9A 2306/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 LTA4H 258/4885ALDH1A1 968/4885RAB9A 2306/4885

“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.