SCHEMBL1372455

SCHEMBL1372455

COC(=O)c1cccnc1Nc1ccc2c(c1)OCCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.55
▸ LMNA P02545 3/20 0.53
▸ TUBB4A P04350 1/20 0.52
▸ TUBB P07437 1/20 0.52
▸ TUBA3C P0DPH7 1/20 0.52
▸ TUBA1B P68363 1/20 0.52
▸ TUBA4A P68366 1/20 0.52
▸ TUBB4B P68371 1/20 0.52
▸ TUBB3 Q13509 1/20 0.52
▸ TUBB2A Q13885 1/20 0.52
▸ TUBB8 Q3ZCM7 1/20 0.52
▸ TUBA3E Q6PEY2 1/20 0.52
▸ TUBA1A Q71U36 1/20 0.52
▸ TUBA1C Q9BQE3 1/20 0.52
▸ TUBB6 Q9BUF5 1/20 0.52
▸ TUBB2B Q9BVA1 1/20 0.52
▸ TUBB1 Q9H4B7 1/20 0.52
▸ RAB9A P51151 5/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ NPC1 O15118 4/20 0.50

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
SCHEMBL16494401 0.86 RAB9A (0.61) ATMLMNARAB9ASMN1; SMN2NPC1
SCHEMBL8027592 0.77 RAB9A (0.60) LMNARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL7272537 0.77 RAB9A (0.72) LMNARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL22445163 0.77 RAB9A (0.60) LMNARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL7281512 0.76 DHODH (0.71) RAB9ASMN1; SMN2NPC1MAPTPKM
SCHEMBL6332639 0.76 MEN1 (0.60) LMNARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL7272758 0.76 KMT2A (0.60) LMNARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL1375701 0.76 RAB9A (0.49) ATMLMNATUBB4ATUBBTUBA3C
SCHEMBL7440301 0.76 MEN1 (0.60) LMNARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL10094259 0.76 TDP1 (0.49) ATMTUBB4ATUBBTUBA3CTUBA1B

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
EP-2394995-B1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2014-01-15 — — EP disclosed
US-8334236-B2 Ring-fused 2-pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2012-12-18 — — US disclosed
EP-2394995-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES Kumiai Chemical Industry CO., LTD. (JP) 2011-12-14 — — EP disclosed
US-20110287937-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2011-11-24 — — 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-20110287937-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES CBR3, CBR1, CHRM1 ATM 3090/4885LMNA 3308/4885TUBB4A 1843/4885

“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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