SCHEMBL502913

SCHEMBL502913

N#CCc1ccc(Br)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.41
PTPN1 P18031 1/20 0.41
ENPP2 Q13822 1/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MMP3 P08254 1/20 0.36
KDM1A O60341 3/20 0.34
KCNH2 Q12809 2/20 0.34
KDM1B Q8NB78 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
FFAR1 O14842 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
CSNK2A1 P68400 4/20 0.33
CYP1A1 P04798 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
SCHEMBL29392470 1.00 PTPRC (0.41) PTPRCPTPN1ENPP2CYP11B1CYP11B2
SCHEMBL333000 0.84 CYP1A2 (0.44) PTPRCPTPN1ENPP2CYP11B1CYP11B2
SCHEMBL7198498 0.81 ENPP2 (0.41) PTPRCPTPN1ENPP2KDM4ETDP1
SCHEMBL435376 0.81 HTT (0.41) PTPRCPTPN1ENPP2CYP11B1CYP11B2
SCHEMBL19899969 0.81 MEN1 (0.52) KDM1AKCNH2KDM1BCYP1A2CYP2D6
SCHEMBL3368263 0.77 KDM4E (0.39) PTPRCPTPN1ENPP2CYP11B1CYP11B2
SCHEMBL16922694 0.76 KDM1A (0.39) CYP11B1CYP11B2KDM4EKDM1AKCNH2
SCHEMBL24108188 0.76 CYP11B1 (0.58) ENPP2CYP11B1CYP11B2KCNH2
SCHEMBL8528308 0.76 TRPV4 (0.39) PTPRCPTPN1ENPP2CYP11B1CYP11B2
SCHEMBL192429 0.76 MAPT (0.38) PTPRCPTPN1ENPP2CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021042411-A1 AKR1C3 INHIBITOR OR PHARMACEUTICALLY ACCEPTABLE SALT OF SAME, PREPARATION METHOD FOR SAME, AND USES THEREOF 中国药科大学 2021-03-11 WO claimed
CN-110590548-A AKR1C3 inhibitor or pharmaceutically acceptable salt thereof, preparation method and application thereof 中国药科大学 2019-12-20 CN claimed
EP-4743453-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION Pretzel Therapeutics, Inc. (US) 2026-05-20 EP disclosed
US-12404283-B2 c-MYC mRNA translation modulators and uses thereof in the treatment of cancer ANIMA BIOTECH INC. (US) 2025-09-02 US disclosed
CN-115151553-B Boric acid derivatives 首药控股(北京)股份有限公司 2025-06-13 CN disclosed
EP-4547672-A1 C-MYC MRNA TRANSLATION MODULATORS AND USES THEREOF IN THE TREATMENT OF CANCER Anima Biotech Inc. (US) 2025-05-07 EP disclosed
US-20250129100-A1 C-MYC MRNA TRANSLATION MODULATORS AND USES THEREOF IN THE TREATMENT OF CANCER ANIMA BIOTECH INC. (US) 2025-04-24 US disclosed
WO-2025080986-A1 AMIDE COMPOUNDS QUANTX BIOSCIENCES US, INC. (US) 2025-04-17 WO disclosed
US-20250115608-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2025-04-10 US disclosed
EP-3145915-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC (US) 2025-03-19 EP disclosed
US-20250042883-A1 GLP-1R AGONISTS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2025-02-06 US disclosed
WO-2006133559-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B MERCK FROSST CANADA LTD. (CA) 2006-12-21 WO disclosed
EP-1694647-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada Ltd. (CA) 2006-08-30 EP disclosed
US-20060063937-A1 Geminallyl di-substituted nsaid derivatives as abeta 42 lowering agents MERCK SHARP & DOHME CORP. 2006-03-23 US disclosed
CN-1751018-A 1-phenylalkanecarboxylic acid derivatives for the treatment of neurodegenerative diseases CHIESI FARMA SPA (IT) 2006-03-22 CN disclosed
EP-1594833-A1 1-PHENYLALKANECARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CHIESI FARMACEUTICI S.p.A. (IT) 2005-11-16 EP disclosed
EP-1587798-A2 GEMINALLY DI-SUBSTITUTED NSAID DERIVATIVES AS ABETA 42 LOWERING AGENTS Merck & Co., Inc. (US) 2005-10-26 EP disclosed
WO-2005056529-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2005-06-23 WO disclosed
WO-2004074232-A1 1-PHENYLALKANECARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CHIESI FARMACEUTICI S.P.A. (IT) 2004-09-02 WO disclosed
WO-2004064771-A2 GEMINALLY DI-SUBSTITUTED NSAID DERIVATIVES AS ABETA 42 LOWERING AGENTS MERCK & CO., INC. (US) 2004-08-05 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 (5 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-20250129100-A1 C-MYC MRNA TRANSLATION MODULATORS AND USES THEREOF IN THE TREATMENT OF CANCER MYC, MYCBP, MYCBP2 PTPRC 1394/4885PTPN1 3379/4885ENPP2 3656/4885
US-20060063937-A1 Geminallyl di-substituted nsaid derivatives as abeta 42 lowering agents APP, PSEN1, CA1 PTPRC 3894/4885PTPN1 4572/4885ENPP2 267/4885
US-12404283-B2 c-MYC mRNA translation modulators and uses thereof in the treatment of cancer MYC, MYCBP, MYCBP2 PTPRC 1394/4885PTPN1 3379/4885ENPP2 3656/4885
US-20250042883-A1 GLP-1R AGONISTS AND USES THEREOF GLP1R, GPR119, GIPR PTPRC 3474/4885PTPN1 1248/4885ENPP2 439/4885
US-20250115608-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS NR1H4, FXR1, GLP1R PTPRC 1134/4885PTPN1 815/4885ENPP2 160/4885

“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.