SCHEMBL25354221

SCHEMBL25354221

O=[N+]([O-])c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HIF1A Q16665 1/20 0.44
TXNRD1 Q16881 1/20 0.44
TXNRD3 Q86VQ6 1/20 0.44
TXNRD2 Q9NNW7 1/20 0.44
RXRA P19793 5/20 0.44
RXRB P28702 5/20 0.44
RXRG P48443 4/20 0.44
P2RX1 P51575 2/20 0.41
MAPK1 P28482 1/20 0.40
ICMT O60725 1/20 0.39
AR P10275 1/20 0.39
PTPN5 P54829 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4596863 0.90 TTR (0.43) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL4897531 0.84 TTR (0.39) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL16959467 0.83 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL29269101 0.77 TDP1 (0.50) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL25353990 0.75 ALDH1A1 (0.45) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL4596164 0.75 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL4596487 0.75 TDP1 (0.41) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL11208124 0.75 MEN1 (0.47) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL258621 0.74 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL4596621 0.73 ALDH1A1 (0.44) ALDH1A1CYP3A4TSHRTDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250134907-A1 FUSED DIAZEPINES AS AGONISTS OF THE INSULIN-LIKE 3 (INSL3) PEPTIDE RECEPTOR RXFP2 AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2025-05-01 US disclosed
EP-4476222-A1 FUSED DIAZEPINES AS AGONISTS OF THE INSULIN-LIKE 3 (INSL3) PEPTIDE RECEPTOR RXFP2 AND METHODS OF USE THEREOF The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2024-12-18 EP disclosed
WO-2023154197-A1 FUSED DIAZEPINES AS AGONISTS OF THE INSULIN-LIKE 3 (INSL3) PEPTIDE RECEPTOR RXFP2 AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-08-17 WO disclosed
WO-2023154197-A1 FUSED DIAZEPINES AS AGONISTS OF THE INSULIN-LIKE 3 (INSL3) PEPTIDE RECEPTOR RXFP2 AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-08-17 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 (1 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-20250134907-A1 FUSED DIAZEPINES AS AGONISTS OF THE INSULIN-LIKE 3 (INSL3) PEPTIDE RECEPTOR RXFP2 AND METHODS OF USE THEREOF RXFP3, RXFP4, RXFP2 ALDH1A1 4818/4885CYP3A4 3694/4885TSHR 180/4885

“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.