Sugi Predict

Sugi Predict / Compounds / SCHEMBL641280

SCHEMBL641280

SCHEMBL641280

Cc1ccc(/C(N)=N/O)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 2/20 0.48
▸ ADRA2B P18089 2/20 0.48
▸ ADRA2C P18825 2/20 0.48
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ RAB9A P51151 4/20 0.43
▸ GAA P10253 3/20 0.43
▸ LMNA P02545 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ GFER P55789 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ RECQL P46063 1/20 0.40
▸ KDM1A O60341 1/20 0.39

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
SCHEMBL641281 1.00 ADRA2A (0.48) ADRA2AADRA2BADRA2CHDAC1HDAC6
SCHEMBL22415209 0.79 HDAC1 (0.47) ADRA2AADRA2BADRA2CHDAC1HDAC6
SCHEMBL19779264 0.78 HDAC1 (0.48) ADRA2AADRA2BADRA2CHDAC1HDAC6
SCHEMBL1725912 0.78 KDM1A (0.44) RAB9AGAALMNAL3MBTL1GFER
SCHEMBL771877 0.78 NNMT (0.59) HDAC1HDAC6RAB9AGAALMNA
SCHEMBL1725914 0.78 KDM1A (0.44) RAB9AGAALMNAL3MBTL1GFER
SCHEMBL771876 0.78 NNMT (0.59) HDAC1HDAC6RAB9AGAALMNA
SCHEMBL1726660 0.76 NAPRT (0.52) ADRA2AADRA2BADRA2CRAB9AGAA
SCHEMBL4491812 0.76 HDAC1 (0.47) ADRA2AADRA2BADRA2CHDAC1HDAC6
SCHEMBL14061764 0.76 RAB9A (0.40) RAB9AGAALMNAL3MBTL1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2022147448-A1 COMPOUNDS AND METHODS FOR MODULATING FXR TERNS PHARMACEUTICALS, INC. (US) 2022-07-07 — — WO disclosed
CN-108137570-B Microbicidal oxadiazole derivatives 先正达参股股份有限公司 2022-01-28 — — CN disclosed
US-11180462-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2021-11-23 — — US disclosed
US-11180462-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2021-11-23 — — US disclosed
CN-108289448-B Microbicidal oxadiazole derivatives 先正达参股股份有限公司 2021-10-22 — — CN disclosed
US-11066375-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2021-07-20 — — US disclosed
US-11066375-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2021-07-20 — — US disclosed
CN-108430997-B Microbicidal oxadiazole derivatives 先正达参股股份有限公司 2021-06-04 — — CN disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 — — US disclosed
EP-2101763-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE Abbott Laboratories (US) 2009-09-23 — — EP disclosed
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 — — WO disclosed
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 — — WO disclosed
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-30 — — US disclosed
US-20080167286-A1 Pharmaceutical compositions and their methods of use ABBOTT LABORATORIES (US) 2008-07-10 — — US disclosed
WO-2008073942-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-19 — — WO disclosed
EP-1373264-B1 3-HETEROCYCLYLPROPANOHYDROXAMIC ACID AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LTD (GB) 2004-12-22 — — EP disclosed
US-6821972-B2 ANTISCARRING AGENTS; WOUND HEALING AGENTS; ENZYME INHIBITORS PFIZER INC. 2004-11-23 — — US disclosed
US-20030069291-A1 3-heterocyclylpropanohydroxamic acid PCP inhibitors PFIZER INC. 2003-04-10 — — 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 (6 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-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 ADRA2A 62/4885ADRA2B 140/4885ADRA2C 39/4885
US-11066375-B2 Microbiocidal oxadiazole derivatives PRF1, NOX1, ARG1 ADRA2A 2831/4885ADRA2B 1994/4885ADRA2C 2446/4885
US-11180462-B2 Microbiocidal oxadiazole derivatives PRF1, NOX1, ARG1 ADRA2A 2831/4885ADRA2B 1994/4885ADRA2C 2446/4885
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof OXA1L, CYP11B2, CYP1B1 ADRA2A 2949/4885ADRA2B 1344/4885ADRA2C 1503/4885
US-20080167286-A1 Pharmaceutical compositions and their methods of use CHRNA4, CHRNB4, CHRNA5 ADRA2A 50/4885ADRA2B 39/4885ADRA2C 38/4885
US-20030069291-A1 3-heterocyclylpropanohydroxamic acid PCP inhibitors PAH, CYP2F1, CYP7A1 ADRA2A 2829/4885ADRA2B 2183/4885ADRA2C 2037/4885

“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.