SCHEMBL13162028

SCHEMBL13162028

Cc1ccncc1C(=O)NC1COC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIRT3 Q9NTG7 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ HTR3A P46098 9/20 0.48
▸ TGFBR1 P36897 3/20 0.46
▸ SMYD3 Q9H7B4 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ABL1 P00519 1/20 0.39

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
SCHEMBL13162036 0.89 NAMPT (0.50) SIRT3TDP1HTR3ATGFBR1SMYD3
SCHEMBL13162009 0.89 NAMPT (0.50) SIRT3TDP1HTR3ATGFBR1SMYD3
SCHEMBL13162007 0.86 SIRT3 (0.53) SIRT3TDP1SMYD3NPC1RAB9A
SCHEMBL13161975 0.86 SMN1; SMN2 (0.49) SIRT3TDP1TGFBR1SMYD3NPC1
SCHEMBL13162024 0.84 RAB9A (0.57) SIRT3TDP1SMYD3NPC1RAB9A
SCHEMBL19701355 0.80 SMYD3 (0.56) SIRT3TDP1SMYD3NPC1RAB9A
SCHEMBL21489690 0.80 SMYD3 (0.56) SIRT3TDP1SMYD3NPC1RAB9A
SCHEMBL7461632 0.79 KDM4E (0.50) TDP1HTR3ATGFBR1SMYD3PDE10A
SCHEMBL13162654 0.78 NPC1 (0.67) NPC1RAB9ASMN1; SMN2
SCHEMBL30804749 0.76 HSD17B10 (0.62) TDP1NPC1RAB9ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 — — EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 — — US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 — — US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 — — 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-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 SIRT3 420/4885TDP1 2603/4885HTR3A 2034/4885

“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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