SCHEMBL12654036

SCHEMBL12654036

COc1ccc2c(c1)CCCC2=N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.51
CYP11B2 P19099 6/20 0.51
MPO P05164 1/20 0.49
CYP11B1 P15538 2/20 0.47
ESR1 P03372 1/20 0.47
KDM4E B2RXH2 3/20 0.46
GLA P06280 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
ACHE P22303 1/20 0.45
MAPT P10636 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
METAP1 P53582 1/20 0.44
ALDH1A1 P00352 2/20 0.43
BCL2 P10415 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL21499318 0.86 SIGMAR1 (0.47) CYP19A1CYP11B2KDM4EACHEMAPT
SCHEMBL228451 0.79 METAP1 (0.56) CYP19A1CYP11B2MPOCYP11B1ESR1
SCHEMBL115638 0.79 MAOA (0.58) CYP19A1CYP11B2KDM4EMETAP1HTT
SCHEMBL17108416 0.78 MPO (0.59) CYP19A1CYP11B2MPOCYP11B1KDM4E
SCHEMBL17489598 0.77 MAPT (0.54) CYP19A1CYP11B2MPOCYP11B1ESR1
SCHEMBL7510392 0.77 METAP1 (0.54) CYP19A1CYP11B2KDM4EMAPTMETAP1
SCHEMBL14373969 0.77 CYP19A1 (0.65) CYP19A1CYP11B2MPOCYP11B1ESR1
SCHEMBL1506557 0.77 DRD1 (0.62) MAPTRAB9AL3MBTL1ALDH1A1BCL2
SCHEMBL31028084 0.77 DRD1 (0.62) MAPTRAB9AL3MBTL1ALDH1A1BCL2
SCHEMBL14286890 0.76 CYP19A1 (0.49) CYP19A1CYP11B2MPOCYP11B1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2023-02-14 US disclosed
US-20210106694-A1 HETEROCYCLIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2021-04-15 US disclosed
US-20200397916-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2020-12-24 US disclosed
WO-2019109188-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2019-06-13 WO disclosed
EP-2592071-A1 Tricyclic heterocyclic compounds Bristol-Myers Squibb Company (US) 2013-05-15 EP disclosed
WO-2011059784-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 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 (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-20210106694-A1 HETEROCYCLIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF HDAC6, C9, AADAC CYP19A1 850/4885CYP11B2 759/4885MPO 111/4885
US-20200397916-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF KAT7, AADAC, HDAC7 CYP19A1 1303/4885CYP11B2 683/4885MPO 262/4885
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof AADAC, HDAC8, KAT8 CYP19A1 959/4885CYP11B2 281/4885MPO 244/4885

“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.