SCHEMBL1186921

SCHEMBL1186921

c1cncc(-c2nnco2)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 11/20 0.62
▸ ALDH1A1 P00352 3/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2A6 P11509 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ CHRNB2 P17787 1/20 0.49
▸ CHRNA5 P30532 1/20 0.49
▸ CHRNA4 P43681 1/20 0.49

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
SCHEMBL30310181 1.00 NOTUM (0.62) NOTUMALDH1A1CYP1A2CYP3A4CYP2A6
Hydrochloric Acid SCHEMBL27783346 0.98 NOTUM (0.60) NOTUMALDH1A1CYP1A2CYP3A4CYP2A6
Ethoxycarbonyl Group SCHEMBL27921877 0.82 PTGS2 (0.50) NOTUMALDH1A1CYP1A2CYP3A4CYP2A6
SCHEMBL28016673 0.81 NOTUM (0.46) NOTUMALDH1A1CYP3A4CYP2A6KDM4E
SCHEMBL3787605 0.77 TLR8 (0.72) NOTUMALDH1A1HPGDHSD17B10LMNA
SCHEMBL9555 0.77 NOTUM (1.00) NOTUMALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL21408738 0.76 NOTUM (0.55) NOTUMALDH1A1KDM4EHPGDLMNA
SCHEMBL21795694 0.75 NOTUM (0.75) NOTUMALDH1A1KDM4EHPGDLMNA
SCHEMBL2670934 0.75 NOTUM (0.65) NOTUMALDH1A1KDM4EHPGDTP53
Biphenyl SCHEMBL22577775 0.75 NOTUM (0.95) NOTUMALDH1A1KDM4ESMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112830941-A Synthesis method of polyacid-based metal organic framework materials with different functionalities 东北师范大学 2021-05-25 — — CN claimed
CN-101715449-A Heterocyclic compounds and their methods of use ABBOTT LAB 2010-05-26 — — CN claimed
CN-101605542-A Pharmaceutical compositions and methods of use thereof ABBOTT LAB (US) 2009-12-16 — — CN claimed
US-20020025477-A1 Non-aqueous electrolytic solution and secondary battery containing same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-02-28 — — US claimed
EP-1172878-A2 Non-aqueous electrolytic solution and secondary battery containing same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-01-16 — — EP claimed
EP-0097126-B1 2-(3-PYRIDYL)-1,3,4-OXADIAZOLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS BIOCIDES CIBA-GEIGY AG (CH) 1988-07-27 — — EP claimed
EP-0097126-A2 2-(3-Pyridyl)-1,3,4-oxadiazoles, process for their preparation and their use as biocides CIBA-GEIGY AG (CH) 1983-12-28 — — EP claimed
JP-59007189-A — — None — — JP disclosed
CN-115850241-A Substituted heterocyclic compound containing alpha-ketone skeleton and application thereof 中国药科大学 2023-03-28 — — CN disclosed
US-20220298190-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2022-09-22 — — US disclosed
US-11239433-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2022-02-01 — — US disclosed
EP-3230254-B1 COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS UNIV PITTSBURGH COMMONWEALTH SYS HIGHER EDUCATION (US) 2021-09-22 — — EP disclosed
US-11072606-B2 Compositions and methods for treating diseases and conditions University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2021-07-27 — — US disclosed
US-4518601-A INSECTICIDES, MITICIDES CIBA GEIGY CORPORATION (US) 1985-05-21 — — US disclosed
EP-0097126-A3 2-(3-PYRIDYL)-1,3,4-OXADIAZOLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS BIOCIDES — 1984-08-22 — — EP disclosed
EP-0116515-A1 Pesticide CIBA-GEIGY AG (CH) 1984-08-22 — — EP disclosed
JP-S597189-A 2-(3-PYRIDYL)-1,3,4-OXADIAZOLE, MANUFACTURE AND NOXIOUS ORGANISM REPELLENT CIBA GEIGY AG 1984-01-14 — — JP disclosed
EP-0097126-A2 2-(3-Pyridyl)-1,3,4-oxadiazoles, process for their preparation and their use as biocides CIBA-GEIGY AG (CH) 1983-12-28 — — EP disclosed
EP-0097126-A2 2-(3-Pyridyl)-1,3,4-oxadiazoles, process for their preparation and their use as biocides CIBA-GEIGY AG (CH) 1983-12-28 — — EP disclosed
EP-0097126-A2 2-(3-Pyridyl)-1,3,4-oxadiazoles, process for their preparation and their use as biocides CIBA-GEIGY AG (CH) 1983-12-28 — — 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 (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-11072606-B2 Compositions and methods for treating diseases and conditions C1S, SLC10A1, C1R NOTUM 2174/4885ALDH1A1 1803/4885CYP1A2 308/4885
US-11239433-B2 Organic electroluminescent materials and devices L1CAM, OR10J3, EML4 NOTUM 3192/4885ALDH1A1 40/4885CYP1A2 191/4885
US-20220298190-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, LARP1 NOTUM 2971/4885ALDH1A1 690/4885CYP1A2 1498/4885

“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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