SCHEMBL3086757

SCHEMBL3086757

NC(=O)c1nc2ccc(OC(F)(F)F)cc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
SCN4A P35499 2/20 0.63
SCN9A Q15858 2/20 0.63
GMNN O75496 1/20 0.63
USP2 O75604 1/20 0.63
LMNA P02545 1/20 0.63
TP53 P04637 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
ADORA3 P0DMS8 1/20 0.63
GAA P10253 1/20 0.63
CYP2C9 P11712 1/20 0.63
PKM P14618 1/20 0.63
ALOX15 P16050 1/20 0.63
NFKB1 P19838 1/20 0.63
SLC6A2 P23975 1/20 0.63
BLM P54132 1/20 0.63
PMP22 Q01453 1/20 0.63
SLC6A3 Q01959 1/20 0.63

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
SCHEMBL3635567 0.87 NPC1 (0.61) NPC1RAB9ASCN4ASCN9AGMNN
SCHEMBL28919878 0.86 DYRK1A (0.67) NPC1RAB9ASCN4ASCN9AGMNN
SCHEMBL22746026 0.82 MAPT (0.58) NPC1RAB9ASCN4ASCN9AGMNN
SCHEMBL3086399 0.81 MAPT (0.61) NPC1RAB9ACYP1A2CYP3A4SMN1; SMN2
SCHEMBL28588889 0.81 NPC1 (0.60) NPC1RAB9ASCN4ASCN9AGMNN
SCHEMBL3590086 0.81 DYRK1A (0.54) NPC1RAB9ASCN4ASCN9AGMNN
SCHEMBL21568256 0.80 DYRK1A (0.77) NPC1RAB9ASCN4ASCN9AGMNN
SCHEMBL18154161 0.79 NPC1 (0.58) NPC1RAB9ASCN4ASCN9AGMNN
Riluzole SCHEMBL4443848 0.78 RAB9A (0.82) NPC1RAB9ASCN4ASCN9AGMNN
SCHEMBL20511690 0.78 CYP1A2 (0.56) NPC1RAB9ASCN4ASCN9AGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10357497-B2 Pro-drugs of riluzole and their method of use for the treatment of amyotrophic lateral sclerosis Biohaven Pharmaceutical Holding Company Limited (US) 2019-07-23 US claimed
US-9725427-B2 Prodrugs of riluzole and their method of use Biohaven Pharmaceutical Holding Company Limited (US) 2017-08-08 US claimed
US-20150148329-A1 PRO-DRUGS OF RILUZOLE AND THEIR METHOD OF USE FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS BEETLEJUICE SA LLC, AS PURCHASER AGENT 2015-05-28 US claimed
US-20150045401-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2015-02-12 US claimed
WO-2013192610-A2 PRO-DRUGS OF RILUZOLE AND THEIR METHOD OF USE FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2013-12-27 WO claimed
WO-2013138753-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2013-09-19 WO claimed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US claimed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP claimed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO claimed
US-20220072006-A1 PRO-DRUGS OF RILUZOLE AND THEIR METHOD OF USE FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS BEETLEJUICE SA LLC, AS PURCHASER AGENT 2022-03-10 US disclosed
US-11197864-B2 Pro-drugs of riluzole and their method of use for the treatment of amyotrophic lateral sclerosis Biohaven Pharmaceutical Holding Company Limited (US) 2021-12-14 US disclosed
US-10844026-B2 Prodrugs of riluzole and their method of use BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2020-11-24 US disclosed
US-20200157069-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2020-05-21 US disclosed
US-10562870-B2 Prodrugs of riluzole and their method of use BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2020-02-18 US disclosed
US-20150148329-A1 PRO-DRUGS OF RILUZOLE AND THEIR METHOD OF USE FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS BEETLEJUICE SA LLC, AS PURCHASER AGENT 2015-05-28 US disclosed
US-20150045401-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2015-02-12 US disclosed
WO-2013192610-A2 PRO-DRUGS OF RILUZOLE AND THEIR METHOD OF USE FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2013-12-27 WO disclosed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US disclosed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP disclosed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 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-10357497-B2 Pro-drugs of riluzole and their method of use for the treatment of amyotrophic lateral sclerosis CYP1A2, CYP3A5, UGT1A1 NPC1 1220/4885RAB9A 440/4885SCN4A 2504/4885
US-11197864-B2 Pro-drugs of riluzole and their method of use for the treatment of amyotrophic lateral sclerosis CYP1A2, UGT1A1, SMN1; SMN2 NPC1 871/4885RAB9A 756/4885SCN4A 2901/4885
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS NPC1 2733/4885RAB9A 2884/4885SCN4A 1371/4885
US-10844026-B2 Prodrugs of riluzole and their method of use APEH, UGT1A9, ALDH3A1 NPC1 3132/4885RAB9A 1164/4885SCN4A 4378/4885
US-20150148329-A1 PRO-DRUGS OF RILUZOLE AND THEIR METHOD OF USE FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CYP1A2, CYP3A5, UGT1A1 NPC1 1220/4885RAB9A 440/4885SCN4A 2504/4885
US-10562870-B2 Prodrugs of riluzole and their method of use APEH, UGT1A9, ALDH3A1 NPC1 3132/4885RAB9A 1164/4885SCN4A 4378/4885
US-20150045401-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 NPC1 3132/4885RAB9A 1164/4885SCN4A 4378/4885
US-20220072006-A1 PRO-DRUGS OF RILUZOLE AND THEIR METHOD OF USE FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CYP1A2, CYP3A5, UGT1A1 NPC1 1220/4885RAB9A 440/4885SCN4A 2504/4885
US-20200157069-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 NPC1 3132/4885RAB9A 1164/4885SCN4A 4378/4885

“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.