SCHEMBL2451041

SCHEMBL2451041

NC(C(=O)O)(c1ccccc1)C1CCC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.57
CYP2C19 P33261 2/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
KEAP1 Q14145 1/20 0.56
NFE2L2 Q16236 1/20 0.56
KIF11 P52732 1/20 0.46
CHRM3 P20309 7/20 0.43
CHRM2 P08172 3/20 0.43
CHRM1 P11229 3/20 0.43
CYP2D6 P10635 1/20 0.42
KCNN4 O15554 1/20 0.41
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2C9 P11712 1/20 0.37
MAPT P10636 1/20 0.37
GRM1 Q13255 1/20 0.37

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
SCHEMBL2451043 1.00 CYP1A2 (0.57) CYP1A2CYP2C19KMT2AMEN1KEAP1
SCHEMBL1411424 0.96 KEAP1 (0.61) CYP1A2CYP2C19KMT2AMEN1KEAP1
SCHEMBL1410564 0.96 KEAP1 (0.61) CYP1A2CYP2C19KMT2AMEN1KEAP1
SCHEMBL9516976 0.82 KEAP1 (0.53) CYP1A2CYP2C19KMT2AMEN1KEAP1
SCHEMBL17313149 0.82 CHRM3 (0.50) CYP1A2CYP2C19KMT2AMEN1KEAP1
SCHEMBL28645834 0.79 KMT2A (0.50) CYP1A2CYP2C19KMT2AMEN1KEAP1
SCHEMBL29002624 0.78 KMT2A (0.49) CYP1A2CYP2C19KMT2AMEN1KEAP1
SCHEMBL75349 0.77 KCNN4 (0.53) CYP1A2CYP2C19KMT2AMEN1KEAP1
SCHEMBL7348679 0.76 MEN1 (0.64) CYP1A2CYP2C19KMT2AMEN1KIF11
SCHEMBL11787173 0.76 KEAP1 (0.46) CYP1A2CYP2C19KMT2AMEN1KEAP1

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 50 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
EP-1307214-A1 HIGHLY HOMOGENEOUS MOLECULAR MARKERS FOR ELECTROPHORESIS INVITROGEN CORPORATION (US) 2003-05-07 EP disclosed
EP-1076563-A4 DIPEPTIDE CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA INC (US) 2003-04-23 EP 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

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 2524/4885CYP2C19 4141/4885KMT2A 1526/4885
US-20180201628-A1 Boron-Containing Diacylhydrazine Compounds BRDT, CD22, BCR CYP1A2 2935/4885CYP2C19 4313/4885KMT2A 1563/4885
US-10851119-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR CYP1A2 2524/4885CYP2C19 4141/4885KMT2A 1526/4885
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES CD22, BRDT, BCR CYP1A2 2524/4885CYP2C19 4141/4885KMT2A 1526/4885
US-10570158-B2 Boron-containing diacylhydrazine compounds BRDT, CD22, BCR CYP1A2 2935/4885CYP2C19 4313/4885KMT2A 1563/4885
US-20180079759-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR CYP1A2 2524/4885CYP2C19 4141/4885KMT2A 1526/4885
US-20020155455-A1 Highly homogeneous molecular markers for electrophoresis CD44, HLA-C, HLA-A CYP1A2 3043/4885CYP2C19 3983/4885KMT2A 3634/4885

“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.