SCHEMBL558343

SCHEMBL558343

Nc1nc2ccc(OC(F)F)cc2s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.68
CYP3A4 P08684 6/20 0.68
NPC1 O15118 5/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
TP53 P04637 3/20 0.68
HSD17B10 Q99714 3/20 0.68
SCN4A P35499 3/20 0.68
CYP1A2 P05177 2/20 0.68
GAA P10253 2/20 0.68
LMNA P02545 2/20 0.68
PKM P14618 2/20 0.68
GMNN O75496 1/20 0.68
USP2 O75604 1/20 0.68
ADORA3 P0DMS8 1/20 0.68
CYP2C9 P11712 1/20 0.68
ALOX15 P16050 1/20 0.68
NFKB1 P19838 1/20 0.68
SLC6A2 P23975 1/20 0.68
BLM P54132 1/20 0.68
PMP22 Q01453 1/20 0.68

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
SCHEMBL30944282 0.84 CYP3A4 (0.69) RAB9ACYP3A4NPC1SMN1; SMN2TP53
SCHEMBL23719775 0.83 RAB9A (0.63) RAB9ACYP3A4NPC1SMN1; SMN2TP53
SCHEMBL9484033 0.83 RAB9A (0.76) RAB9ACYP3A4NPC1SMN1; SMN2TP53
SCHEMBL9722833 0.81 CYP3A4 (0.65) RAB9ACYP3A4NPC1SMN1; SMN2TP53
SCHEMBL20568080 0.81 RAB9A (0.84) RAB9ACYP3A4NPC1SMN1; SMN2TP53
Riluzole SCHEMBL29359189 0.81 RAB9A (1.00) RAB9ACYP3A4NPC1SMN1; SMN2TP53
Riluzole SCHEMBL8913448 0.81 RAB9A (1.00) RAB9ACYP3A4NPC1SMN1; SMN2TP53
Riluzole SCHEMBL78905 0.81 RAB9A (1.00) RAB9ACYP3A4NPC1SMN1; SMN2TP53
Riluzole SCHEMBL5053829 0.81 RAB9A (1.00) RAB9ACYP3A4NPC1SMN1; SMN2TP53
SCHEMBL9071102 0.81 TDP1 (0.59) RAB9ACYP3A4NPC1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3758697-B1 NOVEL ANTIMYCOBACTERIAL HETEROCYCLIC AMIDES CRESTONE INC (US) 2024-10-16 EP claimed
CN-118772080-A Antimycobacterial heterocyclic amides 克莱斯通公司 2024-10-15 CN claimed
CN-112423746-B Novel antimycobacterial heterocyclic amides 克莱斯通公司 2024-06-28 CN claimed
US-11655225-B2 Antimycobacterial heterocyclic amides CRESTONE, INC. (US) 2023-05-23 US claimed
CN-112423746-A Novel anti-mycobacterial heterocyclic amides 克莱斯通公司 2021-02-26 CN claimed
US-20210002239-A1 Novel Antimycobacterial Heterocyclic Amides CRESTONE, INC. 2021-01-07 US claimed
EP-3758697-A1 NOVEL ANTIMYCOBACTERIAL HETEROCYCLIC AMIDES Crestone, Inc. (US) 2021-01-06 EP claimed
EP-3758697-B1 NOVEL ANTIMYCOBACTERIAL HETEROCYCLIC AMIDES CRESTONE INC (US) 2024-10-16 EP disclosed
CN-118772080-A Antimycobacterial heterocyclic amides 克莱斯通公司 2024-10-15 CN disclosed
CN-112423746-B Novel antimycobacterial heterocyclic amides 克莱斯通公司 2024-06-28 CN disclosed
US-11655225-B2 Antimycobacterial heterocyclic amides CRESTONE, INC. (US) 2023-05-23 US disclosed
CN-112423746-A Novel anti-mycobacterial heterocyclic amides 克莱斯通公司 2021-02-26 CN disclosed
US-20210002239-A1 Novel Antimycobacterial Heterocyclic Amides CRESTONE, INC. 2021-01-07 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
WO-2009131926-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-29 WO disclosed
US-4675331-A INSECTICIDE NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1987-06-23 US disclosed
EP-0198244-A2 Benzoyl ureas NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-10-22 EP disclosed
EP-0196547-A1 Benzamides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-10-08 EP 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-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 RAB9A 333/4885CYP3A4 2815/4885NPC1 896/4885
US-11655225-B2 Antimycobacterial heterocyclic amides AADAC, CPS1, NAT1 RAB9A 1973/4885CYP3A4 650/4885NPC1 1093/4885
US-20210002239-A1 Novel Antimycobacterial Heterocyclic Amides AADAC, CPS1, ACAT1 RAB9A 1886/4885CYP3A4 743/4885NPC1 1474/4885

“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.