SCHEMBL6500124

SCHEMBL6500124

O=C(O)c1cccc(OCI)c1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 10/20 0.65
KMT2A Q03164 1/20 0.65
AKR1C3 P42330 1/20 0.59
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
NR4A1 P22736 2/20 0.54
NR4A3 Q92570 2/20 0.54
MRGPRX4 Q96LA9 3/20 0.53
SRD5A2 P31213 1/20 0.53
GPBAR1 Q8TDU6 1/20 0.52
CYSLTR1 Q9Y271 1/20 0.52
NR1H4 Q96RI1 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
SCHEMBL1573261 0.86 KMT2A (0.71) NR4A2KMT2AAKR1C3NPC1RAB9A
SCHEMBL10787479 0.85 KMT2A (0.80) NR4A2KMT2AAKR1C3NPC1RAB9A
SCHEMBL9803295 0.85 KMT2A (0.80) NR4A2KMT2AAKR1C3NPC1RAB9A
SCHEMBL30167982 0.85 KMT2A (0.80) NR4A2KMT2AAKR1C3NPC1RAB9A
SCHEMBL4509654 0.83 KMT2A (0.77) NR4A2KMT2AAKR1C3NR1H4
SCHEMBL5009881 0.81 NR4A2 (0.65) NR4A2KMT2AAKR1C3NPC1RAB9A
SCHEMBL1333545 0.81 KMT2A (0.75) NR4A2KMT2AAKR1C3NPC1RAB9A
SCHEMBL3101757 0.81 NR4A2 (0.65) NR4A2KMT2AAKR1C3NPC1RAB9A
SCHEMBL4724803 0.81 NR4A2 (0.65) NR4A2KMT2AAKR1C3NPC1RAB9A
SCHEMBL6932542 0.81 KMT2A (0.75) NR4A2KMT2AAKR1C3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105873921-B Benzimidazole-proline derivative purposes 爱杜西亚药品有限公司 2019-03-15 CN disclosed
CN-105793258-B The crystalline salt form and its application of benzimidazole cycle compound 爱杜西亚药品有限公司 2018-12-28 CN disclosed
US-6911442-B1 Quinoline derivatives as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2005-06-28 US disclosed
US-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-03-24 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 (1 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-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors MAPK3, MAPK1, MAPKAPK3 NR4A2 1681/4885KMT2A 2259/4885AKR1C3 1499/4885

“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.