SCHEMBL837794

SCHEMBL837794

O=C(O)c1ccnc(OCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 3/20 0.58
▸ KDM4C Q9H3R0 4/20 0.58
▸ KDM5A P29375 4/20 0.58
▸ KDM5B Q9UGL1 3/20 0.58
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ NR4A1 P22736 1/20 0.54
▸ NR4A3 Q92570 1/20 0.54
▸ KDM4E B2RXH2 2/20 0.53
▸ KDM5C P41229 2/20 0.53
▸ KDM6B O15054 1/20 0.53
▸ KDM4A O75164 1/20 0.53
▸ KDM2A Q9Y2K7 1/20 0.53
▸ KDM3A Q9Y4C1 1/20 0.53
▸ ALKBH1 Q13686 1/20 0.52
▸ SRD5A2 P31213 2/20 0.50
▸ MRGPRX4 Q96LA9 6/20 0.48
▸ PTGER1 P34995 1/20 0.48

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
SCHEMBL30822604 0.88 GLRA1 (0.51) NR4A2KDM4CKDM5AKDM5BMEN1
SCHEMBL27189260 0.88 GLRA1 (0.51) NR4A2KDM4CKDM5AKDM5BMEN1
SCHEMBL12420854 0.86 NR4A2 (0.65) NR4A2KDM4CKDM5AKDM5BMEN1
SCHEMBL18650872 0.86 MRGPRX4 (0.58) NR4A2KDM4CMEN1KMT2AKDM4A
SCHEMBL5550995 0.85 HPGD (0.59) KDM4CKDM5AKDM5BMEN1KMT2A
SCHEMBL12076214 0.85 MEN1 (0.67) NR4A2KDM4CKDM5AMEN1KMT2A
SCHEMBL12420736 0.84 KDM5A (0.52) NR4A2KDM4CKDM5AKDM5BKDM4E
SCHEMBL1257063 0.84 KDM4C (0.63) KDM4CKDM5AKDM5BALKBH1MRGPRX4
SCHEMBL30350651 0.84 KDM4C (0.63) KDM4CKDM5AKDM5BALKBH1MRGPRX4
SCHEMBL13876023 0.84 MAOB (0.46) NR4A2KDM4CKDM5AKDM5BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270762-A1 PENICILLIN-BINDING PROTEIN INHIBITORS SPRING MILL PHARMA, INC. 2024-08-15 — — US disclosed
EP-4347607-A1 PENICILLIN-BINDING PROTEIN INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2024-04-10 — — EP disclosed
CN-117693511-A Penicillin binding protein inhibitors 维纳拓尔斯制药公司 2024-03-12 — — CN disclosed
US-8883786-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2014-11-11 — — US disclosed
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 — — US disclosed
US-8143280-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-27 — — US disclosed
EP-2173735-B1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-01-11 — — EP disclosed
US-7935707-B2 Imidazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-03 — — US disclosed
EP-2205562-B1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-03-16 — — EP disclosed
EP-2205562-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-07-14 — — EP disclosed
EP-2173735-A1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-04-14 — — EP disclosed
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 — — US disclosed
WO-2009040288-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 — — WO disclosed
US-20090012063-A1 Novel imidazole derivatives HOFFMANN-LA ROCHE, INC. 2009-01-08 — — US disclosed
WO-2009003861-A1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-08 — — WO disclosed
US-7253178-B2 Carboxylic acids EISAI CO., LTD. (JP) 2007-08-07 — — US disclosed
US-7253178-B2 Carboxylic acids EISAI CO., LTD. (JP) 2007-08-07 — — US disclosed
US-7253178-B2 Carboxylic acids EISAI CO., LTD. (JP) 2007-08-07 — — US disclosed
US-20040116708-A1 Insulin sensitizers; antidiabetic agents, antiinflammatory agents; inflammatory bowel disorders EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-06-17 — — US disclosed
EP-1375484-A1 CARBOXYLIC ACIDS Eisai Co., Ltd. (JP) 2004-01-02 — — 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 (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-20090012063-A1 Novel imidazole derivatives CCR2, CCR1, CCR3 NR4A2 375/4885KDM4C 2611/4885KDM5A 2067/4885
US-20240270762-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL NR4A2 4590/4885KDM4C 3114/4885KDM5A 2272/4885
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R NR4A2 151/4885KDM4C 4679/4885KDM5A 2972/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R NR4A2 151/4885KDM4C 4679/4885KDM5A 2972/4885

“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.

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