SCHEMBL5521631

SCHEMBL5521631

O=C(O)c1cc(Cc2ccccc2)ccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.52
▸ KDM5A P29375 4/20 0.52
▸ KDM4C Q9H3R0 4/20 0.52
▸ KDM5B Q9UGL1 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ KDM4A O75164 2/20 0.52
▸ ASPH Q12797 2/20 0.52
▸ KDM8 Q8N371 2/20 0.52
▸ KDM6B O15054 1/20 0.52
▸ TET3 O43151 1/20 0.52
▸ BBOX1 O75936 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ KDM5C P41229 1/20 0.52
▸ KDM4D Q6B0I6 1/20 0.52
▸ TET2 Q6N021 1/20 0.52
▸ ALKBH5 Q6P6C2 1/20 0.52
▸ KDM7A Q6ZMT4 1/20 0.52
▸ TET1 Q8NFU7 1/20 0.52
▸ EGLN2 Q96KS0 1/20 0.52
▸ FTO Q9C0B1 1/20 0.52

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
SCHEMBL17440067 0.86 PLA2G2A (0.51) KDM5AKDM4CKDM5BHNF4ANR3C2
SCHEMBL6487858 0.83 NR3C2 (0.44) KDM4EKDM5AKDM4CKDM5BALDH1A1
SCHEMBL7246970 0.82 PARP1 (0.52) KDM5BALDH1A1LMNAL3MBTL1SMN1; SMN2
SCHEMBL29248939 0.81 MRGPRX4 (0.49) KDM4EKDM5AKDM4CKDM5BALDH1A1
SCHEMBL28379113 0.80 KLKB1 (0.43) —
SCHEMBL30112054 0.79 KDM4E (0.57) KDM4EKDM5AKDM4CKDM5BALDH1A1
SCHEMBL743017 0.79 KDM4E (0.57) KDM4EKDM5AKDM4CKDM5BALDH1A1
SCHEMBL11766205 0.78 CYP4F2 (0.56) KDM4EKDM5AKDM4CKDM5BALDH1A1
SCHEMBL25379918 0.78 KDM4E (0.55) KDM4EKDM5AKDM4CKDM5BALDH1A1
Hydrochloric Acid SCHEMBL6218632 0.78 KDM4E (0.55) KDM4EKDM5AKDM4CKDM5BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167129-A1 HETEROCYCLIC AMIDE FOR INHIBITING RIP1 KINASE AND USES THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-06-01 — — US disclosed
US-20210371430-A1 HETEROCYCLIC AMIDE FOR INHIBITING RIP1 KINASE AND USES THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2021-12-02 — — US disclosed
US-20210292340-A1 CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2021-09-23 — — US disclosed
EP-3816163-A1 CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2021-05-05 — — EP disclosed
WO-2016009297-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS PFIZER INC. (US) 2016-01-21 — — WO disclosed
US-20160016907-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS PFIZER INC. (US) 2016-01-21 — — US disclosed
US-7199105-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-04-03 — — US disclosed
EP-1654268-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2006-05-10 — — EP disclosed
WO-2005007665-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2005-01-27 — — WO disclosed
US-20040230046-A1 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. 2004-11-18 — — US 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 (5 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-20040230046-A1 Lincomycin derivatives possessing antibacterial activity NRDC, NISCH, CLSPN KDM4E 3921/4885KDM5A 3452/4885KDM4C 3924/4885
US-20160016907-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, CHRM4 KDM4E 1272/4885KDM5A 1219/4885KDM4C 1674/4885
US-20210371430-A1 HETEROCYCLIC AMIDE FOR INHIBITING RIP1 KINASE AND USES THEREOF RIPK1, RIPK3, RIPK4 KDM4E 3065/4885KDM5A 3015/4885KDM4C 3997/4885
US-20230167129-A1 HETEROCYCLIC AMIDE FOR INHIBITING RIP1 KINASE AND USES THEREOF RIPK1, RIPK3, RIPK4 KDM4E 3065/4885KDM5A 3015/4885KDM4C 3997/4885
US-20210292340-A1 CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF LITAF, RIPK1, RIPK2 KDM4E 4473/4885KDM5A 4541/4885KDM4C 4687/4885

“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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