SCHEMBL13162003

SCHEMBL13162003

CCCNC(=O)c1cnccc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
SIRT3 Q9NTG7 1/20 0.53
KMT2A Q03164 2/20 0.49
KDM6B O15054 2/20 0.48
KDM4C Q9H3R0 2/20 0.48
MAPK1 P28482 1/20 0.47
POLB P06746 2/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NAAA Q02083 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
NAMPT P43490 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMYD3 Q9H7B4 1/20 0.43
P2RX7 Q99572 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL3836252 0.91 TSHR (0.57) TDP1SIRT3KMT2AKDM6BKDM4C
SCHEMBL13162035 0.87 SIRT3 (0.53) TDP1SIRT3KMT2AMAPK1SMN1; SMN2
SCHEMBL13162018 0.87 SIRT3 (0.56) TDP1SIRT3KMT2AKDM6BKDM4C
SCHEMBL30138224 0.87 SIRT3 (0.56) TDP1SIRT3KMT2AKDM6BKDM4C
SCHEMBL13162006 0.86 SIRT3 (0.51) TDP1SIRT3KMT2AMAPK1POLB
SCHEMBL14351019 0.86 SIRT3 (0.51) TDP1SIRT3KMT2AKDM6BKDM4C
SCHEMBL13634518 0.84 SIRT3 (0.50) TDP1SIRT3KMT2AMAPK1POLB
SCHEMBL13162037 0.84 SIRT3 (0.46) TDP1SIRT3KMT2AMAPK1POLB
SCHEMBL13162032 0.83 KMT2A (0.52) TDP1SIRT3KMT2AMAPK1NAAA
SCHEMBL13162041 0.82 ALDH1A1 (0.54) TDP1SIRT3KMT2ARECQLL3MBTL1

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
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
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 EP 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 TDP1 2603/4885SIRT3 420/4885KMT2A 1236/4885

“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.