SCHEMBL7423976

SCHEMBL7423976

NNC(=O)c1nc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.58
KDM4E B2RXH2 1/20 0.57
FAAH O00519 7/20 0.57
CNR2 P34972 1/20 0.56
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
AURKA O14965 1/20 0.54
JAK2 O60674 1/20 0.54
ABL1 P00519 1/20 0.54
NTRK1 P04629 1/20 0.54
LCK P06239 1/20 0.54

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
SCHEMBL1041931 0.84 FAAH (0.58) SMYD3FAAHCNR2HDAC3HDAC4
SCHEMBL13442787 0.83 FAAH (0.57) SMYD3FAAHCNR2HDAC3HDAC4
SCHEMBL1430412 0.83 FAAH (0.57) SMYD3KDM4EFAAHCNR2AURKA
SCHEMBL1221009 0.82 HDAC3 (0.58) SMYD3KDM4EFAAHCNR2HDAC3
SCHEMBL24450206 0.82 HDAC3 (0.58) SMYD3FAAHCNR2HDAC3HDAC4
SCHEMBL3668290 0.81 FAAH (0.59) SMYD3FAAHCNR2AURKAJAK2
SCHEMBL4307360 0.81 EGLN1 (0.67) SMYD3FAAHCNR2HDAC3HDAC1
SCHEMBL9402411 0.81 FAAH (0.52) SMYD3FAAHCNR2HDAC3HDAC4
SCHEMBL4069991 0.81 LMNA (0.57) SMYD3FAAHCNR2HDAC3HDAC4
SCHEMBL828618 0.80 AURKA (0.59) KDM4EFAAHAURKAJAK2ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111375784-B Method for preparing stable nano-silver gel 宁夏师范学院 2022-07-12 CN claimed
CN-111375784-A Method for preparing stable nano-silver gel 宁夏师范学院 2020-07-07 CN claimed
CN-110156708-B Substituted heterocyclic compound containing acylhydrazone skeleton and preparation method and application thereof 中国药科大学 2022-08-09 CN disclosed
CN-111375784-B Method for preparing stable nano-silver gel 宁夏师范学院 2022-07-12 CN disclosed
CN-111375784-B Method for preparing stable nano-silver gel 宁夏师范学院 2022-07-12 CN disclosed
US-11026426-B2 Oxadiazole and phenol derivatives as antibacterial and/or herbicidal agents NORTHERN ILLINOIS RESEARCH FOUNDATION (US) 2021-06-08 US disclosed
US-11026426-B2 Oxadiazole and phenol derivatives as antibacterial and/or herbicidal agents NORTHERN ILLINOIS RESEARCH FOUNDATION (US) 2021-06-08 US disclosed
CN-111375784-A Method for preparing stable nano-silver gel 宁夏师范学院 2020-07-07 CN disclosed
CN-111375784-A Method for preparing stable nano-silver gel 宁夏师范学院 2020-07-07 CN disclosed
US-20180271098-A1 OXADIAZOLE AND PHENOL DERIVATIVES AS ANTIBACTERIAL AND/OR HERBICIDAL AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-09-27 US disclosed
US-6495545-B1 ANTIOSTEOPOROTIC, ANTIRESTENOTIC, ANTICARCINOGENIC AND ANTIATHEROSCLEROTIC ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2002-12-17 US disclosed
US-6339083-B1 FOR THERAPY OF OSTEOPOROSIS, RESTENOSIS, CARCINOSES AND/OR ARTERIOSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 2002-01-15 US disclosed
EP-1140927-A1 1,4-BENZODIAZEPINONE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2001-10-10 EP disclosed
WO-2000035917-A1 1,4-BENZODIAZEPINONE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-06-22 WO disclosed
US-3951920-A Permselective polymeric membrane prepared from polybenzimidazoles TEIJIN LIMITED (JA) 1976-04-20 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 (2 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-20180271098-A1 OXADIAZOLE AND PHENOL DERIVATIVES AS ANTIBACTERIAL AND/OR HERBICIDAL AGENTS CMPK1, IPMK, ITPA SMYD3 2114/4885KDM4E 276/4885FAAH 3342/4885
US-11026426-B2 Oxadiazole and phenol derivatives as antibacterial and/or herbicidal agents CBR3, AOC3, AHR SMYD3 1531/4885KDM4E 2652/4885FAAH 610/4885

“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.