SCHEMBL4632779

SCHEMBL4632779

CC(C)(C)OC(=O)NNCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA7 P43166 1/20 0.60
CA14 Q9ULX7 1/20 0.60
ATM Q13315 1/20 0.55
AKT1 P31749 2/20 0.50
GAA P10253 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
CTSK P43235 3/20 0.48
PPARA Q07869 2/20 0.48
SYK P43405 1/20 0.48
IDO1 P14902 1/20 0.47
CTSS P25774 4/20 0.46
CTSL P07711 2/20 0.46
CTSB P07858 2/20 0.46
ALDH1A1 P00352 1/20 0.45
RIPK1 Q13546 1/20 0.45

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
SCHEMBL6447258 0.91 HDAC1 (0.52) CA12CA1CA7CA14ATM
SCHEMBL4748455 0.90 CA12 (0.57) CA12CA1CA7CA14ATM
SCHEMBL6243210 0.89 HDAC1 (0.54) CA12CA1CA7CA14ATM
SCHEMBL29800530 0.89 CA12 (0.48) CA12CA1CA7CA14ATM
SCHEMBL6445761 0.87 ESRRG (0.55) CA12CA1CA7CA14ATM
SCHEMBL6236607 0.85 GAA (0.51) CA12CA1CA7CA14ATM
SCHEMBL9971059 0.85 GAA (0.51) CA12CA1CA7CA14ATM
SCHEMBL7394476 0.84 CYP1A2 (0.46) CA12CA1CA7CA14ATM
SCHEMBL1668799 0.84 GAA (0.50) CA12CA1CA7CA14GAA
SCHEMBL17963188 0.84 CYP17A1 (0.53) CA12CA1CA7CA14ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-87103808-A The dopamine-inhibitor 1987-12-09 CN claimed
EP-0246888-A2 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1987-11-25 EP claimed
EP-4663629-A1 FLUORINATED PYRAZOLONE COMPOUND AND METHOD FOR PRODUCING SAME Unimatec Co., Ltd. (JP) 2025-12-17 EP disclosed
WO-2024166973-A1 FLUORINATED PYRAZOLONE COMPOUND AND METHOD FOR PRODUCING SAME ユニマテック株式会社 2024-08-15 WO disclosed
US-20230257908-A1 MODIFIED DNA-ENCODED CHEMICAL LIBRARY AND METHODS RELATED THERETO TECHNISCHE UNIVERSITAET DORTMUND (DE) 2023-08-17 US disclosed
US-20230257908-A1 MODIFIED DNA-ENCODED CHEMICAL LIBRARY AND METHODS RELATED THERETO TECHNISCHE UNIVERSITAET DORTMUND (DE) 2023-08-17 US disclosed
US-11661422-B2 Tricyclic urea compounds as JAK2 V617F inhibitors INCYTE CORPORATION (US) 2023-05-30 US disclosed
EP-4127162-A1 MODIFIED DNA-ENCODED CHEMICAL LIBRARY AND METHODS RELATED THERETO Technische Universität Dortmund (DE) 2023-02-08 EP disclosed
US-20220064165-A1 TRICYCLIC UREA COMPOUNDS AS JAK2 V617F INHIBITORS INCYTE CORPORATION 2022-03-03 US disclosed
WO-2022046989-A1 TRICYCLIC UREA COMPOUNDS AS JAK2 V617F INHIBITORS INCYTE CORPORATION (US) 2022-03-03 WO disclosed
WO-2021191333-A1 MODIFIED DNA-ENCODED CHEMICAL LIBRARY AND METHODS RELATED THERETO TECHNISCHE UNIVERSITÄT DORTMUND (DE) 2021-09-30 WO disclosed
WO-1994019332-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-09-01 WO disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP disclosed
EP-0518955-A4 CHYMOTRYPSIN-LIKE PROTEASES AND THEIR INHIBITORS 1993-09-22 EP disclosed
WO-1993018006-A1 AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUED HYDROCARBONS NARHEX LIMITED (HK) 1993-09-16 WO disclosed
US-5202312-A Antiarthritic agents, antiallergens, antidiabetic agents TANABE SEIYAKU CO., LTD. (JP) 1993-04-13 US disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP disclosed
EP-0518955-A1 CHYMOTRYPSIN-LIKE PROTEASES AND THEIR INHIBITORS CEPHALON, INC. (US) 1992-12-23 EP disclosed
WO-1991013904-A1 CHYMOTRYPSIN-LIKE PROTEASES AND THEIR INHIBITORS CEPHALON, INC. (US) 1991-09-19 WO disclosed
EP-0372818-A2 Imidazole-containing peptide and preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1990-06-13 EP 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-20230257908-A1 MODIFIED DNA-ENCODED CHEMICAL LIBRARY AND METHODS RELATED THERETO DUT, DCTD, DNMT1 CA12 2245/4885CA1 2446/4885CA7 617/4885
US-20220064165-A1 TRICYCLIC UREA COMPOUNDS AS JAK2 V617F INHIBITORS JAK2, JAK1, JAK3 CA12 4229/4885CA1 4587/4885CA7 4338/4885
US-11661422-B2 Tricyclic urea compounds as JAK2 V617F inhibitors JAK2, JAK1, JAK3 CA12 4229/4885CA1 4587/4885CA7 4338/4885

“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.