SCHEMBL2658293

SCHEMBL2658293

COC(=O)c1cc(OC)nc(OC(C)C)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.77
ALDH1A1 P00352 1/20 0.77
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
NFKB1 P19838 1/20 0.42
XDH P47989 1/20 0.42
GFER P55789 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
FUT7 Q11130 1/20 0.42
CYP1A2 P05177 1/20 0.41

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
SCHEMBL2657835 0.86 KDM4E (0.55) KDM4EALDH1A1CA12CA1CA2
SCHEMBL16727015 0.85 KDM4E (0.54) KDM4EALDH1A1CA12CA1CA2
SCHEMBL30016388 0.85 KDM4E (0.74) KDM4EALDH1A1CA12CA1CA2
SCHEMBL19331148 0.85 KDM4E (0.74) KDM4EALDH1A1CA12CA1CA2
SCHEMBL22013885 0.83 KDM4E (0.51) KDM4EALDH1A1LMNATDP1POLB
SCHEMBL16729379 0.80 KDM4E (0.49) KDM4EALDH1A1CA12CA1CA2
SCHEMBL2657252 0.80 GCK (0.53) KDM4EALDH1A1
SCHEMBL20944369 0.80 KDM4E (0.47) KDM4EALDH1A1CA12CA1CA2
SCHEMBL19330210 0.78 KDM4E (0.46) KDM4EALDH1A1LMNATDP1CYP1A2
SCHEMBL2656280 0.78 KMT2A (0.52) KDM4EALDH1A1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109069514-B Antibacterial compound and application thereof 结核病药物开发全球联盟公司 2023-12-29 CN disclosed
EP-4148053-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF The Global Alliance for TB Drug Development, Inc. (US) 2023-03-15 EP disclosed
EP-3426255-B1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2022-11-30 EP disclosed
US-10981891-B2 Antibacterial compounds and uses thereof THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2021-04-20 US disclosed
US-20200039955-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. 2020-02-06 US disclosed
US-10508097-B2 Antibacterial compounds and uses thereof THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2019-12-17 US disclosed
US-20190071417-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. 2019-03-07 US disclosed
EP-3426255-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF The Global Alliance for TB Drug Development, Inc. (US) 2019-01-16 EP disclosed
WO-2017155909-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2017-09-14 WO disclosed
WO-2009083553-A1 AZINE COMPOUNDS AS GLUCOKINASE ACTIVATORS RHEOSCIENCE A/S (DK) 2009-07-09 WO disclosed
WO-2009083553-A1 AZINE COMPOUNDS AS GLUCOKINASE ACTIVATORS RHEOSCIENCE A/S (DK) 2009-07-09 WO disclosed
US-6420363-B1 Mono- or polyenic carboxylic acid derivatives EISAI CO., LTD. (JP) 2002-07-16 US disclosed
US-6291508-B1 POTENT ABILITY TO BIND TO RETINOIC ACID RECEPTORS THUS USEFUL IN TREATING PSORIASIS AND RHEUMATOID ARTHRITIS. EISAI CO., LTD. (JP) 2001-09-18 US disclosed
US-6133283-A Mono- or polyenic carboxylic acid derivatives EISAI CO., LTD. (JP) 2000-10-17 US disclosed
US-6030964-A BINDS TO RETINOIC ACID RECEPTORS AND USEFUL FOR TREATING PSORIASIS, AUTOIMMUNE DISEASES, TUMORS, RHEUMATOID ARTHRITIS AND FOR INDUCING IMMUNOSUPPRESSION IN ORGAN TRANSPLANTATION EISAI CO., LTD. (JP) 2000-02-29 US disclosed
US-5977125-A Mono-or polyenic carboxylic acid derivatives EISAI CO., LTD. (JP) 1999-11-02 US disclosed
EP-0790228-A1 MONO- OR POLYENIC CARBOXYLIC ACID DERIVATIVE Eisai Co., Ltd. (JP) 1997-08-20 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 (4 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-10981891-B2 Antibacterial compounds and uses thereof CFTR, SQOR, NQO1 KDM4E 3810/4885ALDH1A1 518/4885CA12 3630/4885
US-20200039955-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF CFTR, SQOR, NQO1 KDM4E 3810/4885ALDH1A1 518/4885CA12 3630/4885
US-10508097-B2 Antibacterial compounds and uses thereof CFTR, SQOR, NQO1 KDM4E 3810/4885ALDH1A1 518/4885CA12 3630/4885
US-20190071417-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF CFTR, SQOR, NQO1 KDM4E 3810/4885ALDH1A1 518/4885CA12 3630/4885

“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.