SCHEMBL30219360

SCHEMBL30219360

NCC(Cn1ncn(-c2cccc(Br)c2)c1=O)=C(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PDE4A P27815 1/20 0.34
▸ PPARG P37231 3/20 0.34
▸ PPARD Q03181 3/20 0.34
▸ PPARA Q07869 3/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ HSD17B3 P37058 1/20 0.33
▸ ALKBH5 Q6P6C2 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ GABRA4 P48169 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ NPBWR1 P48145 1/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ ROCK2 O75116 2/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 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
SCHEMBL22090867 1.00 MEN1 (0.40) MEN1KMT2APDE4APPARGPPARD
Trifluoroacetic Acid SCHEMBL22091190 0.93 PPARD (0.40) MEN1KMT2APPARGPPARDPPARA
SCHEMBL22110597 0.85 ALDH1A1 (0.41) PPARGPPARDPPARAROCK2
SCHEMBL29267536 0.84 PPARG (0.37) MEN1KMT2APDE4APPARGPPARD
SCHEMBL22091129 0.83 HSD17B3 (0.33) PPARGPPARDPPARAHSD17B3
SCHEMBL30219337 0.83 HSD17B3 (0.37) PPARGPPARDPPARAHSD17B3ROCK2
SCHEMBL22090887 0.83 HSD17B3 (0.37) PPARGPPARDPPARAHSD17B3ROCK2
SCHEMBL21454168 0.83 MEN1 (0.39) MEN1KMT2APDE4APPARGPPARD
SCHEMBL21453703 0.83 MEN1 (0.39) MEN1KMT2APDE4APPARGPPARD
Hydrochloric Acid SCHEMBL21382536 0.82 MEN1 (0.39) MEN1KMT2APDE4APPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113330001-B 3, 3-Difluoroallylamine or salt thereof and pharmaceutical composition comprising the same 柳韩洋行 2024-07-02 — — CN claimed
US-20240417392-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORP (KR) 2024-12-19 — — US disclosed
CN-118894816-A 3, 3-Difluoroallylamine or salt thereof and pharmaceutical composition comprising the same 柳韩洋行 2024-11-05 — — CN disclosed
CN-113330001-B 3, 3-Difluoroallylamine or salt thereof and pharmaceutical composition comprising the same 柳韩洋行 2024-07-02 — — CN disclosed
US-11713308-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2023-08-01 — — US disclosed
US-20230044255-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2023-02-09 — — US 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-20230044255-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 MEN1 3740/4885KMT2A 2852/4885PDE4A 2695/4885
US-20240417392-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 MEN1 3740/4885KMT2A 2852/4885PDE4A 2695/4885
US-11713308-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same VAPA, VAPB, SLC10A1 MEN1 3740/4885KMT2A 2852/4885PDE4A 2695/4885

“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.

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