SCHEMBL12614021

SCHEMBL12614021

O=C(Nc1nnco1)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ ROCK2 O75116 1/20 0.55
▸ ROCK1 Q13464 1/20 0.55
▸ AQP4 P55087 1/20 0.55
▸ HDAC1 Q13547 2/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ RAB9A P51151 6/20 0.52
▸ NPC1 O15118 5/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ USP2 O75604 1/20 0.52
▸ HDAC3 O15379 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ KCNK3 O14649 1/20 0.50
▸ ALOX15 P16050 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ PIM1 P11309 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
SCHEMBL17079639 0.83 CSNK2A2 (0.53) LMNARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL28232648 0.78 LMNA (0.58) LMNAHIF1AROCK2ROCK1HDAC1
SCHEMBL13639895 0.75 KDM4E (0.67) LMNARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL11591966 0.73 LMNA (0.69) LMNAHIF1AROCK2ROCK1AQP4
SCHEMBL1571386 0.73 LMNA (1.00) LMNAHIF1AROCK2ROCK1RAB9A
SCHEMBL8162429 0.72 HDAC1 (0.69) LMNAHIF1AROCK2ROCK1HDAC1
SCHEMBL5361880 0.71 HDAC1 (0.74) LMNAHIF1AROCK2ROCK1HDAC1
SCHEMBL2000041 0.71 HDAC1 (0.74) LMNAHIF1AROCK2ROCK1HDAC1
Nicotinanilide SCHEMBL352439 0.71 LMNA (0.83) LMNAHIF1AROCK2ROCK1RAB9A
SCHEMBL14880208 0.71 ROCK2 (1.00) LMNAHIF1AROCK2ROCK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9370184-B2 6-pyridone-2-carbamoyl-azoles and their use as herbicides BAYER CROPSCIENCE AG (DE) 2016-06-21 — — US disclosed
EP-2688885-B1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES AND USE THEREOF AS HERBICIDES BAYER IP GMBH (DE) 2016-06-01 — — EP disclosed
EP-2844650-B1 6-PYRIDON-2-CARBAMOYL-AZOLES AND THEIR APPLICATION AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2016-03-23 — — EP disclosed
US-9101141-B2 N-(1,3,4-oxadiazol-2-yl)arylcarboxamides and use thereof as herbicides BAYER INTERLLECTUAL PROPERTY GMBH (DE) 2015-08-11 — — US disclosed
US-20150111747-A1 6-PYRIDONE-2-CARBAMOYL-AZOLES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2015-04-23 — — US disclosed
US-20140080705-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES AND USE THEREOF AS HERBICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-20 — — US disclosed
EP-2688885-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES AND USE THEREOF AS HERBICIDES Bayer Intellectual Property GmbH (DE) 2014-01-29 — — EP disclosed
WO-2012126932-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-09-27 — — 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 (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-20140080705-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES AND USE THEREOF AS HERBICIDES PRDX4, CBR3, AOX1 LMNA 3484/4885HIF1A 1626/4885ROCK2 1923/4885
US-20150111747-A1 6-PYRIDONE-2-CARBAMOYL-AZOLES AND THEIR USE AS HERBICIDES PDXK, PNPO, PRDX6 LMNA 3962/4885HIF1A 3730/4885ROCK2 2441/4885

“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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