SCHEMBL23123650

SCHEMBL23123650

C[C@H](NC(=O)CBr)c1ccc(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GPR139 Q6DWJ6 7/20 0.49
▸ HTT P42858 2/20 0.43
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ POLB P06746 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL29757886 1.00 GPR139 (0.49) GPR139HTTCES2CES1ALDH1A1
SCHEMBL23123653 1.00 GPR139 (0.49) GPR139HTTCES2CES1ALDH1A1
SCHEMBL23122274 0.87 GPR139 (0.52) GPR139HTTALDH1A1POLBKMT2A
SCHEMBL29757903 0.87 GPR139 (0.52) GPR139HTTALDH1A1POLBKMT2A
SCHEMBL23122277 0.87 GPR139 (0.52) GPR139HTTALDH1A1POLBKMT2A
SCHEMBL29757893 0.85 GPR139 (0.53) GPR139HTTALDH1A1POLBKDM4E
SCHEMBL23121613 0.85 GPR139 (0.53) GPR139HTTALDH1A1POLBKDM4E
SCHEMBL23121612 0.85 GPR139 (0.53) GPR139HTTALDH1A1POLBKDM4E
SCHEMBL23121962 0.85 MEN1 (0.42) GPR139HTTALDH1A1POLBKDM4E
SCHEMBL23121963 0.85 MEN1 (0.42) GPR139HTTALDH1A1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12370192-B2 Azole-fused pyridazin-3(2H)-one derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-07-29 — — US disclosed
EP-4031552-B1 AZOLE-FUSED PYRIDAZIN-3(2H)-ONE DERIVATIVES TAKEDA PHARMACEUTICALS CO (JP) 2024-11-06 — — EP disclosed
US-20230028114-A1 AZOLE-FUSED PYRIDAZIN-3(2H)-ONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-01-26 — — US disclosed
US-20230028114-A1 AZOLE-FUSED PYRIDAZIN-3(2H)-ONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-01-26 — — US disclosed
EP-4031552-A1 AZOLE-FUSED PYRIDAZIN-3(2H)-ONE DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2022-07-27 — — EP disclosed
CN-114728975-A Azole-fused pyridazin-3 (2H) -one derivatives 武田药品工业株式会社 2022-07-08 — — CN disclosed
WO-2021055326-A1 AZOLE-FUSED PYRIDAZIN-3(2H)-ONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 — — 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 (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-20230028114-A1 AZOLE-FUSED PYRIDAZIN-3(2H)-ONE DERIVATIVES GPR139, GPR119, GPR39 GPR139 1/4885HTT 3419/4885CES2 3563/4885
US-12370192-B2 Azole-fused pyridazin-3(2H)-one derivatives GPR139, GPR119, GPR39 GPR139 1/4885HTT 3419/4885CES2 3563/4885

“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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