SCHEMBL543166

SCHEMBL543166

FC(F)(F)c1cn2c(Br)cccc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.36
SCN5A Q14524 1/20 0.35
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA3 P34903 2/20 0.35
PTGS2 P35354 4/20 0.33
PTGS1 P23219 2/20 0.33
TRPA1 O75762 1/20 0.33
AHR P35869 2/20 0.33
HDAC4 P56524 1/20 0.32
GRIA1 P42261 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP2C19 P33261 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 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
SCHEMBL31417112 0.86 HSD17B10 (0.31) HSD17B10AHR
SCHEMBL29611270 0.82 GAA (0.33) HSD17B10TRPA1AHRKDM4EALDH1A1
SCHEMBL29936022 0.79 RAB9A (0.44) KDM4EALDH1A1HPGDCYP1A2POLB
SCHEMBL31417275 0.79 GRIN1 (0.39) HSD17B10SCN5APTGS2PTGS1ALDH1A1
SCHEMBL24583773 0.79 HSD17B10 (0.36) HSD17B10SCN5AGABRA1GABRG2GABRB3
SCHEMBL24583805 0.75 PTGS2 (0.38) HSD17B10SCN5AGABRA1GABRG2GABRB3
SCHEMBL31417167 0.72 NT5E (0.34) HSD17B10SCN5APTGS2TRPA1KDM4E
SCHEMBL16666330 0.72 SCN5A (0.36) SCN5APTGS2PTGS1KDM4ENPC1
SCHEMBL17987555 0.72 PIK3CG (0.44) HSD17B10PTGS2PTGS1AHRKDM4E
SCHEMBL542463 0.72 NPC1 (0.37) HSD17B10AHRKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025217141-A1 PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 ENANTA PHARMACEUTICALS, INC. (US) 2025-10-16 WO disclosed
US-20250313569-A1 Pharmaceutical Compounds And Compositions As Modulators Of MAS-Related G-Protein Receptor X2 ENANTA PHARMACEUTICALS, INC. 2025-10-09 US disclosed
WO-2025044946-A1 COMPOUND ACTING AS MRGPRX2 ANTAGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2025-03-06 WO disclosed
CN-119504738-A Compounds as MRGPRX2 antagonists, methods of preparation and use thereof 武汉人福创新药物研发中心有限公司 2025-02-25 CN disclosed
WO-2025011633-A1 ANTAGONIST OF MAS-RELATED G PROTEIN-COUPLED RECEPTOR X2 AND USE THEREOF 北京普祺医药科技股份有限公司 2025-01-16 WO disclosed
EP-2141150-B1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-12-11 EP disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
EP-2141150-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-01-06 EP disclosed
EP-2141150-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-01-06 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 (2 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-20250313569-A1 Pharmaceutical Compounds And Compositions As Modulators Of MAS-Related G-Protein Receptor X2 MRGPRX2, MRGPRX1, MRGPRX4 HSD17B10 4766/4885SCN5A 1058/4885GABRA1 491/4885
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, XDH HSD17B10 745/4885SCN5A 1876/4885GABRA1 1420/4885

“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.