SCHEMBL4780658

SCHEMBL4780658

FC(F)(F)Oc1ccc2n[c]sc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SCN4A P35499 2/20 0.53
SCN9A Q15858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GMNN O75496 1/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
GAA P10253 1/20 0.53
CYP2C9 P11712 1/20 0.53
PKM P14618 1/20 0.53
ALOX15 P16050 1/20 0.53
NFKB1 P19838 1/20 0.53
SLC6A2 P23975 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53

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
SCHEMBL18154124 0.87 NPC1 (0.45) NPC1RAB9ASCN4ASCN9ASMN1; SMN2
SCHEMBL533470 0.77 CYP1A2 (0.49) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL212072 0.74 EPHX2 (0.49) SCN4AGAAPKMDYRK1AACP1
SCHEMBL15281308 0.71 NPC1 (0.54) NPC1RAB9ASCN4ASCN9ASMN1; SMN2
SCHEMBL29414924 0.71 NPC1 (0.54) NPC1RAB9ASCN4ASCN9ASMN1; SMN2
SCHEMBL8014001 0.71 CA1 (0.49) LMNATP53CYP3A4GAAHSD17B10
SCHEMBL4996297 0.71 NPC1 (0.34) NPC1RAB9ASCN4ASCN9ASMN1; SMN2
SCHEMBL206753 0.71 GFER (0.44) NPC1RAB9ASMN1; SMN2LMNAPKM
SCHEMBL3091070 0.70 NPC1 (0.69) NPC1RAB9ASCN4ASCN9ASMN1; SMN2
SCHEMBL10220007 0.70 NPC1 (0.64) NPC1RAB9ASCN4ASCN9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107567438-B Riluzole prodrugs and uses thereof 拜尔哈文制药股份有限公司 2021-06-29 CN 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-20170334870-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2017-11-23 US disclosed
US-9725427-B2 Prodrugs of riluzole and their method of use Biohaven Pharmaceutical Holding Company Limited (US) 2017-08-08 US disclosed
US-20150224083-A1 Cancer Therapy With Cantharidin And Cantharidin Analogs STEMLINE THERAPEUTICS INC (US) 2015-08-13 US disclosed
US-20150045401-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2015-02-12 US disclosed
US-20080267947-A1 Cancer therapy with cantharidin and cantharidin analogs STEMLINE THERAPEUTICS, INC. 2008-10-30 US disclosed
WO-2008030617-A2 CANCER THERAPY WITH CANTHARIDIN AND CANTHARIDIN ANALOGS STEMLINE THERAPEUTICS, INC. (US) 2008-03-13 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 (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-20150224083-A1 Cancer Therapy With Cantharidin And Cantharidin Analogs ASAH2, TYR, CD47 NPC1 2616/4885RAB9A 578/4885SCN4A 4059/4885
US-20170334870-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 NPC1 3132/4885RAB9A 1164/4885SCN4A 4378/4885
US-20080267947-A1 Cancer therapy with cantharidin and cantharidin analogs ASAH2, TYR, CD47 NPC1 2616/4885RAB9A 578/4885SCN4A 4059/4885
US-10844026-B2 Prodrugs of riluzole and their method of use APEH, UGT1A9, ALDH3A1 NPC1 3132/4885RAB9A 1164/4885SCN4A 4378/4885
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-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.