SCHEMBL640866

SCHEMBL640866

N=C(NO)c1cnccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.48
▸ NAPRT Q6XQN6 1/20 0.48
▸ HCAR2 Q8TDS4 1/20 0.48
▸ BAZ2B Q9UIF8 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MC4R P32245 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ MC3R P41968 1/20 0.47
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MCL1 Q07820 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ PABPC1 P11940 1/20 0.37

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
SCHEMBL29806269 1.00 KDM4E (0.48) KDM4ENAPRTHCAR2BAZ2BADORA3
SCHEMBL4904135 0.83 BAZ2B (0.52) KDM4ENAPRTHCAR2BAZ2BADORA3
SCHEMBL12745729 0.78 KDM4E (0.44) KDM4ENAPRTHCAR2BAZ2BADORA3
SCHEMBL1412848 0.74 KDM4E (0.59) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL14903392 0.73 — —
SCHEMBL1442775 0.73 — —
SCHEMBL1461124 0.72 KDM4E (0.47) KDM4ENAPRTHCAR2BAZ2BADORA3
Hydrochloric Acid SCHEMBL3134310 0.71 BAZ2B (0.59) KDM4ENAPRTHCAR2BAZ2BADORA3
SCHEMBL22859955 0.71 KDM4E (0.50) KDM4ENAPRTHCAR2BAZ2BADORA3
Hydrochloric Acid SCHEMBL7668906 0.71 BAZ2B (0.59) KDM4ENAPRTHCAR2BAZ2BADORA3

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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4041727-B1 ATF6 MODULATORS AND USES THEREOF ALTOS LABS INC (US) 2026-05-20 — — EP disclosed
EP-4363415-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS TECNIMEDE SOCIEDADE TECNICO MEDICINAL SA (PT) 2025-12-10 — — EP disclosed
US-20240279217-A1 Heterocyclic compounds for the treatment of tuberculosis TECNIMEDE - Sociedade Técnico-medicinal, SA (PT) 2024-08-22 — — US disclosed
EP-4363415-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS Tecnimede, Sociedade Técnico-Medicinal, SA (PT) 2024-05-08 — — EP disclosed
WO-2023141114-A2 SYNTHESIS OF BORON-CONTAINING AMIDOXIME REAGENTS AND THEIR APPLICATION TO SYNTHESIZE FUNCTIONALIZED OXADIAZOLE AND QUINAZOLINONE DERIVATIVES LONG ISLAND UNIVERSITY (US) 2023-07-27 — — WO disclosed
WO-2023275744-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS TECNIMEDE - Sociedade Técnico-medicinal, SA (PT) 2023-01-05 — — WO disclosed
WO-2023275744-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS TECNIMEDE - Sociedade Técnico-medicinal, SA (PT) 2023-01-05 — — WO disclosed
US-20220389001-A1 ATF6 MODULATORS AND USES THEREOF ALTOS LABS, INC. 2022-12-08 — — US disclosed
US-20220389001-A1 ATF6 MODULATORS AND USES THEREOF ALTOS LABS, INC. 2022-12-08 — — US disclosed
CN-115135645-A ATF6 modulators and uses thereof 普拉西斯生物技术有限责任公司 2022-09-30 — — CN disclosed
WO-2009080663-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO S.A. (CH) 2009-07-02 — — WO disclosed
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 — — WO disclosed
EP-1212299-B1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LTD (GB) 2009-04-08 — — EP disclosed
CN-101321525-A Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors HOFFMANN LA ROCHE (CH) 2008-12-10 — — CN disclosed
CN-101166735-A Novel oxadiazole derivatives and their medical use NEUROSEARCH AS (DK) 2008-04-23 — — CN disclosed
US-20050250792-A1 Substituted piperidine compounds useful as modulators of chemokine receptor activity MERRILL LYNCH CAPITAL, A DIVISION OF MERRILL LYNCH BUSINESS FINANCIAL SERVICES, INC. AS ADMINISTRATIVE AGENT 2005-11-10 — — US disclosed
US-6903085-B1 Substituted piperidine compounds useful as modulators of chemokine receptor activity ASTRAZENECA, AB (CH) 2005-06-07 — — US disclosed
EP-1373264-B1 3-HETEROCYCLYLPROPANOHYDROXAMIC ACID AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LTD (GB) 2004-12-22 — — EP disclosed
EP-1212299-A1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca UK Limited (GB) 2002-06-12 — — EP disclosed
WO-2001014333-A1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LIMITED (GB) 2001-03-01 — — 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-20240279217-A1 Heterocyclic compounds for the treatment of tuberculosis SDHA, NQO1, FNTB KDM4E 3297/4885NAPRT 228/4885HCAR2 2898/4885
US-20220389001-A1 ATF6 MODULATORS AND USES THEREOF ATF4, XBP1, ATF1 KDM4E 4285/4885NAPRT 1419/4885HCAR2 4100/4885
US-20050250792-A1 Substituted piperidine compounds useful as modulators of chemokine receptor activity CXCR4, CXCR1, CXCR3 KDM4E 2699/4885NAPRT 1654/4885HCAR2 203/4885

“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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