SCHEMBL1884589

SCHEMBL1884589

Nc1nc(C(F)(F)F)ns1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL77476 0.75 ALDH1A1 (0.36) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL11231650 0.75 ADORA3 (0.34) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL1400082 0.70
SCHEMBL20907802 0.70
SCHEMBL12245280 0.68 CCNE2 (0.33)
SCHEMBL175478 0.67 ALDH1A1 (0.33) ALDH1A1ADORA2AHPGDNPC1RAB9A
SCHEMBL12298052 0.65
SCHEMBL20285553 0.65 PTGS1 (0.37)
SCHEMBL26699006 0.65 PDE4A (0.34)
SCHEMBL12798682 0.65 TLR7 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10870624-B2 Histone deacetylase inhibitors KARUS THERAPEUTICS LIMITED (GB) 2020-12-22 US disclosed
US-20200316062-A1 COMBINATIONS COMPRISING HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LIMITED (GB) 2020-10-08 US disclosed
US-10653681-B2 Analgesic compounds RECURIUM IP HOLDINGS, LLC (US) 2020-05-19 US disclosed
US-20190111031-A1 ANALGESIC COMPOUNDS KTHERA, LLC 2019-04-18 US disclosed
EP-3455220-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-03-20 EP disclosed
EP-3456355-A1 COMPOSITIONS COMPRISING A PI3K INHIBITOR AND AN HDAC INHIBITOR Karus Therapeutics Ltd (GB) 2019-03-20 EP disclosed
CN-109310679-A Combination comprising histone deacetylase inhibitor 卡鲁斯治疗有限公司 2019-02-05 CN disclosed
US-20180170876-A1 NOVEL HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LIMITED (GB) 2018-06-21 US disclosed
US-20180170876-A1 NOVEL HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LIMITED (GB) 2018-06-21 US disclosed
US-9862685-B2 Histone deacetylase inhibitors KARUS THERAPEUTICS LIMITED (GB) 2018-01-09 US disclosed
US-20110172276-A1 CARBOXAMIDE COMPOUND AND USE OF THE SAME ARIMORI SADAYUKI 2011-07-14 US disclosed
US-7935716-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-03 US disclosed
WO-2010055164-A2 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2010-05-20 WO disclosed
US-20090076063-A1 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-19 US disclosed
EP-1887002-A1 CARBOXAMIDE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-02-13 EP disclosed
US-4337081-A 5-Amido-3-trihalomethyl-1,2,4-thiadiazoles and their use as herbicides OLIN CORPORATION (US) 1982-06-29 US disclosed
US-4254265-A Selected 5-trichloromethylthioamino derivatives of 3-trihalomethyl-1,2,4-thiadiazole and their use as fungicides OLIN CORPORATION (US) 1981-03-03 US disclosed
US-4228289-A POSTEMERGENCE HERBICIDES OLIN CORPORATION (US) 1980-10-14 US disclosed
US-4224449-A HERBICIDES OLIN CORPORATION (US) 1980-09-23 US disclosed
US-4207089-A Thiolcarbamate derivatives of 3-trihalomethyl-1,2,4-thiadiazoles and their use as herbicides OLIN CORPORATION (US) 1980-06-10 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 (7 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-20090076063-A1 Carboxamide compound and use of the same CBR3, SIRT2, SIRT1 ALDH1A1 3016/4885ADORA3 2582/4885ADORA2A 3102/4885
US-20110172276-A1 CARBOXAMIDE COMPOUND AND USE OF THE SAME CBR3, SIRT2, SIRT1 ALDH1A1 3016/4885ADORA3 2582/4885ADORA2A 3102/4885
US-20190111031-A1 ANALGESIC COMPOUNDS OPRK1, OPRL1, OPRM1 ALDH1A1 113/4885ADORA3 371/4885ADORA2A 243/4885
US-20180170876-A1 NOVEL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC5, HDAC11 ALDH1A1 630/4885ADORA3 4783/4885ADORA2A 4816/4885
US-10870624-B2 Histone deacetylase inhibitors HDAC1, HDAC5, HDAC2 ALDH1A1 584/4885ADORA3 4739/4885ADORA2A 4754/4885
US-10653681-B2 Analgesic compounds OPRK1, OPRL1, OPRM1 ALDH1A1 113/4885ADORA3 371/4885ADORA2A 243/4885
US-20200316062-A1 COMBINATIONS COMPRISING HISTONE DEACETYLASE INHIBITORS MCL1, HDAC1, MYC ALDH1A1 1515/4885ADORA3 4724/4885ADORA2A 3930/4885

“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.