SCHEMBL13162007

SCHEMBL13162007

Cc1ccncc1C(=O)NC1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT3 Q9NTG7 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ CYP46A1 Q9Y6A2 1/20 0.50
▸ MAPK14 Q16539 2/20 0.49
▸ LCK P06239 1/20 0.49
▸ CSF1R P07333 1/20 0.49
▸ KDR P35968 1/20 0.49
▸ SMYD3 Q9H7B4 2/20 0.48
▸ CRHR1 P34998 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ ACKR3 P25106 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44
▸ TAS1R2 Q8TE23 1/20 0.44
▸ HPGDS O60760 1/20 0.44

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
SCHEMBL13162024 0.94 RAB9A (0.57) SIRT3TDP1NPC1RAB9ACYP46A1
SCHEMBL19701355 0.93 SMYD3 (0.56) SIRT3TDP1NPC1RAB9ACYP46A1
SCHEMBL21489690 0.93 SMYD3 (0.56) SIRT3TDP1NPC1RAB9ACYP46A1
SCHEMBL13161975 0.90 SMN1; SMN2 (0.49) SIRT3TDP1NPC1RAB9ACYP46A1
SCHEMBL19710392 0.87 SMYD3 (0.61) SMYD3
SCHEMBL21489778 0.87 SMYD3 (0.61) SMYD3
SCHEMBL13162028 0.86 SIRT3 (0.49) SIRT3TDP1NPC1RAB9ASMYD3
SCHEMBL13162009 0.84 NAMPT (0.50) SIRT3TDP1NPC1RAB9ASMYD3
SCHEMBL13162036 0.84 NAMPT (0.50) SIRT3TDP1NPC1RAB9ASMYD3
SCHEMBL24011083 0.81 EPHX1 (0.57) NPC1RAB9ACRHR1LMNASMN1; SMN2

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 2603/4885NPC1 4144/4885

“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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