SCHEMBL25402913

SCHEMBL25402913

O=C(O)c1ccc2nn(Cc3ccc(OC(F)(F)F)cc3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.48
PTGER4 P35408 3/20 0.48
GIPR P48546 1/20 0.48
CACNA1G O43497 2/20 0.47
CACNA1H O95180 2/20 0.47
CACNA1I Q9P0X4 2/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
AADAT Q8N5Z0 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43
HDAC6 Q9UBN7 2/20 0.42
HDAC1 Q13547 1/20 0.42
IDH1 O75874 2/20 0.42
KLKB1 P03952 1/20 0.42
GLP1R P43220 1/20 0.41

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
SCHEMBL25402556 0.89 MRGPRX4 (0.47) GCGRPTGER4CACNA1GCACNA1HCACNA1I
SCHEMBL30585066 0.88 RORC (0.52) CACNA1GCACNA1HCACNA1IMRGPRX4EGLN1
SCHEMBL25402220 0.88 RORC (0.52) CACNA1GCACNA1HCACNA1IMRGPRX4EGLN1
SCHEMBL7977921 0.85 KDM4E (0.50) PTGER4CACNA1GCACNA1HCACNA1IHDAC6
SCHEMBL6844901 0.85 PTGER4 (0.46) PTGER4HDAC6HDAC1
SCHEMBL25400692 0.84 CPT1A (0.46) CACNA1GCACNA1HCACNA1IMRGPRX4HDAC6
SCHEMBL6840441 0.83 KDM5A (0.47) PTGER4HDAC6HDAC1
SCHEMBL25402055 0.82 HDAC6 (0.59) PTGER4CACNA1GCACNA1HCACNA1IMRGPRX4
SCHEMBL25402755 0.81 HCAR3 (0.49) HDAC6
SCHEMBL25402226 0.81 HDAC6 (0.49) HDAC6HDAC1

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-20250197369-A1 NOVEL HETEROCYCLIC INHIBITOR FOR HISTONE DEACETYLASE, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME SOOKMYUNG WOMEN'S UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2025-06-19 US disclosed
EP-4494640-A1 NOVEL HETEROCYCLIC INHIBITOR FOR HISTONE DEACETYLASE, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Sookmyung Women's University Industry-Academic Cooperation Foundation (KR) 2025-01-22 EP disclosed
CN-119212701-A Novel histone deacetylase heterocycle inhibitor and pharmaceutical composition containing the same 淑明女子大学校 产学协力团 2024-12-27 CN disclosed
WO-2023177250-A1 NOVEL HETEROCYCLIC INHIBITOR FOR HISTONE DEACETYLASE, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 숙명여자대학교산학협력단 2023-09-21 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-20250197369-A1 NOVEL HETEROCYCLIC INHIBITOR FOR HISTONE DEACETYLASE, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME HDAC1, HDAC6, HDAC5 GCGR 2721/4885PTGER4 3788/4885GIPR 2511/4885

“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.