SCHEMBL2454501

SCHEMBL2454501

CC(C)C(N)(C(=O)O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 1.00
CYP2D6 P10635 2/20 1.00
MAPT P10636 2/20 0.45
KMT2A Q03164 1/20 0.45
CYP2C19 P33261 3/20 0.44
HIF1A Q16665 2/20 0.44
KIF11 P52732 5/20 0.44
KCNN4 O15554 2/20 0.41
ALOX5 P09917 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
KCNH2 Q12809 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 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
SCHEMBL2454503 1.00 CYP1A2 (1.00) CYP1A2CYP2D6MAPTKMT2ACYP2C19
SCHEMBL27570861 0.88 CYP1A2 (0.78) CYP1A2CYP2D6MAPTKMT2ACYP2C19
SCHEMBL4989116 0.86 CYP2D6 (0.75) CYP1A2CYP2D6MAPTKMT2ACYP2C19
SCHEMBL14944875 0.82 CYP2D6 (0.70) CYP1A2CYP2D6MAPTKMT2ACYP2C19
SCHEMBL10607689 0.82 CYP2D6 (0.70) CYP1A2CYP2D6MAPTKMT2ACYP2C19
SCHEMBL5307865 0.82 CYP2D6 (0.70) CYP1A2CYP2D6MAPTKMT2ACYP2C19
SCHEMBL28636479 0.81 CYP2D6 (0.68) CYP1A2CYP2D6MAPTKMT2ACYP2C19
SCHEMBL75956 0.81 CYP1A2 (0.68) CYP1A2CYP2D6MAPTKMT2ACYP2C19
SCHEMBL1082430 0.81 CYP1A2 (0.68) CYP1A2CYP2D6MAPTKMT2AHIF1A
SCHEMBL28463954 0.80 CYP2D6 (0.66) CYP1A2CYP2D6MAPTKMT2ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851119-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2020-12-01 US disclosed
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2020-05-21 US disclosed
CN-107406373-B Boron-containing diacylhydrazine compounds 英特瑞克斯顿股份有限公司 2020-04-28 CN disclosed
EP-3194359-B1 BORON-CONTAINING DIACYLHYDRAZINE COMPOUNDS INTREXON CORP (US) 2020-04-08 EP disclosed
US-10570158-B2 Boron-containing diacylhydrazine compounds INTREXON CORPORATION (US) 2020-02-25 US disclosed
US-10464951-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2019-11-05 US disclosed
US-20180201628-A1 Boron-Containing Diacylhydrazine Compounds INTREXON CORP (US) 2018-07-19 US disclosed
EP-2970106-B1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2018-05-16 EP disclosed
US-9944659-B2 Boron-containing diacylhydrazine compounds INTREXON CORPORATION (US) 2018-04-17 US disclosed
US-20180079759-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION (US) 2018-03-22 US disclosed
US-20020155455-A1 Highly homogeneous molecular markers for electrophoresis INVITROGEN CORPORATION 2002-10-24 US disclosed
EP-1220869-A1 CASPASE INHIBITORS FOR THE TREATMENT AND PREVENTION OF CHEMOTHERAPY AND RADIATION THERAPY INDUCED CELL DEATH Cytovia, Inc. (US) 2002-07-10 EP disclosed
WO-2002013848-A1 HIGHLY HOMOGENEOUS MOLECULAR MARKERS FOR ELECTROPHORESIS INVITROGEN CORPORATION (US) 2002-02-21 WO disclosed
CN-1297354-A Dipeptide caspase inhibitors and use thereof CYTOVIA INC (US) 2001-05-30 CN disclosed
WO-2001027140-A1 CASPASE INHIBITORS FOR THE TREATMENT AND PREVENTION OF CHEMOTHERAPY AND RADIATION THERAPY INDUCED CELL DEATH CYTOVIA, INC. (US) 2001-04-19 WO disclosed
EP-1076563-A1 DIPEPTIDE CASPASE INHIBITORS AND THE USE THEREOF Cytovia, Inc. (US) 2001-02-21 EP disclosed
US-6153591-A PROTECTING NERVOUS SYSTEM FOLLOWING FOCAL ISCHEMIA AND GLOBAL ISCHEMIA; ALZHEIMER'S DISEASE, HUNTINGTON'S DISEASE, PRION DISEASES, PARKINSON'S DISEASE, MULTIPLE SCLEROSIS, AMYOTROPHIC LATERAL SCLEROSIS, ALOPACIA, RHEUMATOID ARTHRITIS CYTOVIA, INC. (US) 2000-11-28 US disclosed
WO-1999047154-A1 DIPEPTIDE CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA, INC. (US) 1999-09-23 WO disclosed
EP-0853626-A1 SUBSTITUTED PHOSPHINIC COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Novartis AG (CH) 1998-07-22 EP disclosed
WO-1997009335-A1 SUBSTITUTED PHOSPHINIC COMPOUNDS AND THEIR USE AS PHARMACEUTICALS NOVARTIS AG (CH) 1997-03-13 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 (7 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-10464951-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR CYP1A2 2524/4885CYP2D6 1022/4885MAPT 4167/4885
US-20180201628-A1 Boron-Containing Diacylhydrazine Compounds BRDT, CD22, BCR CYP1A2 2935/4885CYP2D6 1065/4885MAPT 4018/4885
US-10851119-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR CYP1A2 2524/4885CYP2D6 1022/4885MAPT 4167/4885
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES CD22, BRDT, BCR CYP1A2 2524/4885CYP2D6 1022/4885MAPT 4167/4885
US-10570158-B2 Boron-containing diacylhydrazine compounds BRDT, CD22, BCR CYP1A2 2935/4885CYP2D6 1065/4885MAPT 4018/4885
US-20180079759-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR CYP1A2 2524/4885CYP2D6 1022/4885MAPT 4167/4885
US-20020155455-A1 Highly homogeneous molecular markers for electrophoresis CD44, HLA-C, HLA-A CYP1A2 3043/4885CYP2D6 2640/4885MAPT 3603/4885

“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.