SCHEMBL13161981

SCHEMBL13161981

Cc1ccc(CC#N)cc1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
SIRT3 Q9NTG7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
FFAR1 O14842 1/20 0.37
ENPP2 Q13822 1/20 0.37
MAPK8 P45983 3/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MMP3 P08254 1/20 0.35
NNMT P40261 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL11456033 0.85 HMGB1 (0.42) KMT2AFFAR1ENPP2ALDH1A1MEN1
SCHEMBL13270584 0.81 KMT2A (0.38) KMT2ATDP1FFAR1ENPP2MAPT
SCHEMBL11446718 0.81 ALDH1A1 (0.50) KMT2ATDP1L3MBTL1MAPTKDM4E
SCHEMBL22615011 0.80 LMNA (0.46) KMT2AFFAR1ENPP2MAPK8MAPT
SCHEMBL2895902 0.79 SIRT3 (0.43) KMT2ASIRT3TDP1L3MBTL1MAPK1
SCHEMBL30952718 0.79 SIRT3 (0.43) SIRT3TDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL6831285 0.77 SIRT3 (0.42) KMT2ASIRT3TDP1L3MBTL1MAPK8
Hydrochloric Acid SCHEMBL5129632 0.76 SIRT3 (0.41) KMT2ASIRT3TDP1L3MBTL1MAPK8
SCHEMBL11085442 0.75 MAOA (0.46) KMT2AFFAR1ENPP2MMP3HTT
SCHEMBL5633938 0.75 NR1H4 (0.47) KMT2AFFAR1ENPP2ALDH1A1

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 3 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-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 KMT2A 1236/4885SIRT3 420/4885TDP1 2603/4885

“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.