SCHEMBL601034

SCHEMBL601034

Cc1nc(-c2cccc(C(=O)O)c2)cs1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.68
KDM4E B2RXH2 3/20 0.68
POLB P06746 3/20 0.68
RAB9A P51151 3/20 0.68
GAA P10253 2/20 0.68
KDM4A O75164 1/20 0.67
KDM4B O94953 1/20 0.67
KDM5C P41229 1/20 0.67
KDM5B Q9UGL1 1/20 0.67
RECQL P46063 2/20 0.60
TSHR P16473 1/20 0.60
ECE1 P42892 1/20 0.57
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
LMNA P02545 1/20 0.56
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
ESR2 Q92731 1/20 0.54

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
SCHEMBL1020685 0.86 RECQL (0.59) HTTKDM4EPOLBRAB9AGAA
SCHEMBL3088586 0.86 RECQL (0.63) HTTKDM4EPOLBRAB9AGAA
SCHEMBL12468441 0.84 RECQL (0.56) HTTKDM4EPOLBRAB9AGAA
SCHEMBL17476093 0.84 PFKFB3 (0.58) HTTKDM4EPOLBRAB9AGAA
SCHEMBL20647099 0.84 RECQL (0.56) HTTKDM4EPOLBRAB9AGAA
SCHEMBL13389562 0.84 RECQL (0.56) HTTKDM4EPOLBRAB9AGAA
SCHEMBL19625475 0.84 RXRA (0.52) HTTKDM4EPOLBRAB9AGAA
SCHEMBL13407999 0.84 MAPT (0.57) HTTKDM4EPOLBRAB9AGAA
SCHEMBL3855727 0.83 ALDH1A1 (0.69) HTTKDM4ERAB9AKDM4AKDM4B
SCHEMBL22566346 0.82 HTT (0.74) HTTPOLBLMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 US disclosed
US-9522140-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2016-12-20 US disclosed
US-20160361295-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LTD (GB) 2016-12-15 US disclosed
US-20160015685-A1 FURO [3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LTD (GB) 2016-01-21 US disclosed
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 US disclosed
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 US disclosed
EP-2391617-B1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2015-11-11 EP disclosed
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
US-20150164912-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LTD (GB) 2015-06-18 US disclosed
US-20110009385-A1 COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2011-01-13 US disclosed
US-20110009386-A1 FURO[3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2011-01-13 US disclosed
WO-2010086403-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-08-05 WO disclosed
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 US disclosed
WO-2009112839-A1 COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2009-09-17 WO disclosed
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-12 US disclosed
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-12 US disclosed
EP-1893599-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS AstraZeneca AB (SE) 2008-03-05 EP disclosed
CN-101080396-A Quinoxalines as B Raf inhibitors ASTRAZENECA AB (SE) 2007-11-28 CN disclosed
WO-2006134378-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2006-12-21 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 (9 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-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H HTT 633/4885KDM4E 830/4885POLB 4531/4885
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 HTT 3968/4885KDM4E 3779/4885POLB 1739/4885
US-20110009385-A1 COMPOUNDS CTSK, CTSS, MMP9 HTT 1497/4885KDM4E 3972/4885POLB 1178/4885
US-20160015685-A1 FURO [3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK HTT 1842/4885KDM4E 4509/4885POLB 3444/4885
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS GRM5, GRIK5, GRM3 HTT 834/4885KDM4E 1789/4885POLB 4712/4885
US-20160361295-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK HTT 2308/4885KDM4E 4450/4885POLB 3609/4885
US-20150164912-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK HTT 2308/4885KDM4E 4450/4885POLB 3609/4885
US-20110009386-A1 FURO[3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK HTT 1842/4885KDM4E 4509/4885POLB 3444/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK HTT 2931/4885KDM4E 3132/4885POLB 449/4885

“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.