SCHEMBL8060962

SCHEMBL8060962

COC(=O)c1cc(C)c(N)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
KDM4E B2RXH2 6/20 0.44
GAA P10253 5/20 0.44
LMNA P02545 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
NFKB1 P19838 1/20 0.44
XDH P47989 1/20 0.44
GFER P55789 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
FUT7 Q11130 1/20 0.44
ALDH1A1 P00352 7/20 0.43
NQO2 P16083 1/20 0.42

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
SCHEMBL6686898 0.89 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL5787161 0.87 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL1759210 0.84 KDM4E (0.51) CA12CA1CA2CA7CA9
SCHEMBL31473460 0.84 KDM4E (0.51) CA12CA1CA2CA7CA9
SCHEMBL10146774 0.83 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL25114613 0.82 GAA (0.58) CA12CA1CA2CA7CA9
SCHEMBL637391 0.81 KDM4E (0.53) CA12CA1CA2CA7CA9
SCHEMBL20762798 0.81 GAA (0.53) CA12CA1CA2CA7CA9
SCHEMBL24901830 0.81 GAA (0.47) CA12CA1CA2CA7CA9
SCHEMBL3717095 0.81 CA1 (0.44) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220056023-A1 PREPARATION AND APPLICATION OF CLASS OF N-CONTAINING HETEROCYCLIC COMPOUNDS HAVING IMMUNOREGULATORY FUNCTION SHANGHAI ENNOVABIO PHARMACEUTICALS CO., LTD. (CN) 2022-02-24 US disclosed
EP-3831824-A1 PREPARATION AND APPLICATION OF CLASS OF N-CONTAINING HETEROCYCLIC COMPOUNDS HAVING IMMUNOREGULATORY FUNCTION Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) 2021-06-09 EP disclosed
EP-3831824-A1 PREPARATION AND APPLICATION OF CLASS OF N-CONTAINING HETEROCYCLIC COMPOUNDS HAVING IMMUNOREGULATORY FUNCTION Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) 2021-06-09 EP disclosed
CN-112638900-A Preparation and application of N-containing heterocyclic compound with immunoregulation function 上海轶诺药业有限公司 2021-04-09 CN disclosed
CN-110790758-A Preparation and application of N-containing heterocyclic compound with immunoregulation function 上海轶诺药业有限公司 2020-02-14 CN disclosed
WO-2020024997-A1 PREPARATION AND APPLICATION OF CLASS OF N-CONTAINING HETEROCYCLIC COMPOUNDS HAVING IMMUNOREGULATORY FUNCTION 上海轶诺药业有限公司 2020-02-06 WO disclosed
WO-2020024997-A1 PREPARATION AND APPLICATION OF CLASS OF N-CONTAINING HETEROCYCLIC COMPOUNDS HAVING IMMUNOREGULATORY FUNCTION 上海轶诺药业有限公司 2020-02-06 WO disclosed
US-9192577-B2 Pharmaceutical compositions comprising a basic drug compound, a surfactant, and a physiologically tolerable water soluble acid JANSSEN PHARMACEUTICA NV (BE) 2015-11-24 US disclosed
US-9192577-B2 Pharmaceutical compositions comprising a basic drug compound, a surfactant, and a physiologically tolerable water soluble acid JANSSEN PHARMACEUTICA NV (BE) 2015-11-24 US disclosed
EP-0816331-B1 Fungicidally active n-acetonylbenzamide compounds ROHM & HAAS (US) 2000-05-24 EP disclosed
US-5929098-A Fungicidically active N-acetonylbenzamide compounds ROHM AND HAAS COMPANY (US) 1999-07-27 US disclosed
EP-0816331-A1 Fungicidally active n-acetonylbenzamide compounds ROHM AND HAAS COMPANY (US) 1998-01-07 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 (1 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-20220056023-A1 PREPARATION AND APPLICATION OF CLASS OF N-CONTAINING HETEROCYCLIC COMPOUNDS HAVING IMMUNOREGULATORY FUNCTION CD274, PDCD1, PDCD1LG2 CA12 3495/4885CA1 3447/4885CA2 4301/4885

“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.