SCHEMBL7363709

SCHEMBL7363709

CCC(=O)Nc1ccc(C(C)=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
HPGD P15428 2/20 0.66
RAB9A P51151 2/20 0.66
MAPT P10636 5/20 0.64
NPC1 O15118 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
MAPK1 P28482 1/20 0.60
ATM Q13315 2/20 0.59
GAA P10253 2/20 0.59
POLB P06746 1/20 0.57
MCL1 Q07820 1/20 0.57
NOX1 Q9Y5S8 1/20 0.57
KDM4E B2RXH2 1/20 0.57
HTT P42858 1/20 0.57

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
SCHEMBL13989319 0.87 GAA (0.73) ALDH1A1HPGDRAB9AMAPTNPC1
SCHEMBL9517500 0.86 ALDH1A1 (0.68) ALDH1A1HPGDRAB9AMAPTSMN1; SMN2
SCHEMBL18231632 0.85 NPC1 (0.71) ALDH1A1HPGDRAB9AMAPTNPC1
SCHEMBL14465834 0.85 ALDH1A1 (0.62) ALDH1A1HPGDRAB9AMAPTSMN1; SMN2
SCHEMBL1395934 0.84 ALDH1A1 (0.71) ALDH1A1HPGDRAB9AMAPTSMN1; SMN2
SCHEMBL925339 0.84 MAPT (0.64) ALDH1A1HPGDRAB9AMAPTNPC1
SCHEMBL31570085 0.84 MAPT (0.64) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL14584390 0.83 RAB9A (0.72) ALDH1A1HPGDRAB9AMAPTSMN1; SMN2
SCHEMBL17475956 0.82 MAPT (0.62) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL7687241 0.82 MAPT (0.62) ALDH1A1HPGDRAB9AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024097972-A2 COMPOUNDS AND METHODS FOR TREATING CANCERS CEDARS-SINAI MEDICAL CENTER (US) 2024-05-10 WO disclosed
CN-113754587-B Phenylpyrazole compound and application thereof 沈阳药科大学 2023-07-14 CN disclosed
CN-113754587-A Phenylpyrazole compound and application thereof 沈阳药科大学 2021-12-07 CN disclosed
US-20210369855-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-12-02 US disclosed
US-11129910-B2 Specific conjugation linkers, specific immunoconjugates thereof, methods of making and uses such conjugates thereof HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-09-28 US disclosed
EP-3778601-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES ImmunoGen, Inc. (US) 2021-02-17 EP disclosed
EP-3261678-B1 ANTIBODY-UREASE CONJUGATES FOR THERAPEUTIC PURPOSES HELIX BIOPHARMA CORP (CA) 2020-11-11 EP disclosed
US-20200276261-A1 A CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-09-03 US disclosed
US-20200215206-A1 SPECIFIC CONJUGATION LINKERS, SPECIFIC IMMUNOCONJUGATES THEREOF, METHODS OF MAKING AND USES SUCH CONJUGATES THEREOF SUZHOU M-CONJ BIOTECH CO., LTD. (CN) 2020-07-09 US disclosed
EP-3666289-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES ImmunoGen, Inc. (US) 2020-06-17 EP disclosed
EP-1249233-B9 NPYY5 ANTAGONISTS SHIONOGI & CO (JP) 2009-08-05 EP disclosed
US-20090041791-A1 Heterocyclic self-immolative Linkers and Conjugates SEAGEN INC. 2009-02-12 US disclosed
US-20080207718-A1 Use of Fused Imidazole Derivatives to Mediate Ccr3 Related Conditions BECKWITH ROHAN 2008-08-28 US disclosed
US-20080207718-A1 Use of Fused Imidazole Derivatives to Mediate Ccr3 Related Conditions BECKWITH ROHAN 2008-08-28 US disclosed
EP-1249233-B1 NPYY5 ANTAGONISTS SHIONOGI & CO (JP) 2008-08-20 EP disclosed
WO-2007025751-A1 USE OF FUSED IMIDAZOLE DERIVATIVES TO MEDIATE CCR3 RELATED CONDITIONS NOVARTIS AG (CH) 2007-03-08 WO disclosed
US-20070036714-A1 Porphyrin derivatives, methods for obtaining same, and use thereof in radioimmunotherapy UNIVERSITE DE RENNES 1 (FR) 2007-02-15 US disclosed
US-20070036714-A1 Porphyrin derivatives, methods for obtaining same, and use thereof in radioimmunotherapy UNIVERSITE DE RENNES 1 (FR) 2007-02-15 US disclosed
US-4521422-A ANTICONVULSANT, ANTIEPILEPTIC AGENTS, SEDATIVES, MUSCLE RELAXANTS AMERICAN CYANAMID COMPANY (US) 1985-06-04 US disclosed
EP-0129847-A2 Aryl and heteroaryl[7-(aryl and heteroaryl)-pyrazolo-[1,5-a]-pyrimidin-3-yl]methanones AMERICAN CYANAMID COMPANY (US) 1985-01-02 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 (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-20210369855-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 ALDH1A1 1130/4885HPGD 4477/4885RAB9A 1610/4885
US-11129910-B2 Specific conjugation linkers, specific immunoconjugates thereof, methods of making and uses such conjugates thereof SLC25A1, GCDH, FH ALDH1A1 743/4885HPGD 1217/4885RAB9A 4030/4885
US-20090041791-A1 Heterocyclic self-immolative Linkers and Conjugates CTSL, DNPEP, CTSE ALDH1A1 2008/4885HPGD 901/4885RAB9A 1944/4885
US-20070036714-A1 Porphyrin derivatives, methods for obtaining same, and use thereof in radioimmunotherapy HCCS, TFRC, ABCB7 ALDH1A1 1529/4885HPGD 3192/4885RAB9A 3470/4885
US-20080207718-A1 Use of Fused Imidazole Derivatives to Mediate Ccr3 Related Conditions CCR3, CCR1, CCR4 ALDH1A1 1985/4885HPGD 1503/4885RAB9A 2332/4885
US-20200276261-A1 A CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS TEKT1, TEK, BTN3A1 ALDH1A1 4604/4885HPGD 4641/4885RAB9A 3339/4885
US-20200215206-A1 SPECIFIC CONJUGATION LINKERS, SPECIFIC IMMUNOCONJUGATES THEREOF, METHODS OF MAKING AND USES SUCH CONJUGATES THEREOF SLC25A1, GCDH, FH ALDH1A1 743/4885HPGD 1217/4885RAB9A 4030/4885

“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.