SCHEMBL13664958

SCHEMBL13664958

CC(=O)COc1ccccc1C#N

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.64
MAPK1 P28482 1/20 0.64
ALDH1A1 P00352 4/20 0.62
HPGD P15428 1/20 0.62
TSHR P16473 1/20 0.62
GAA P10253 1/20 0.61
NPC1 O15118 6/20 0.61
RAB9A P51151 6/20 0.61
TP53 P04637 2/20 0.58
KDM4E B2RXH2 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
NOTUM Q6P988 1/20 0.52
THRB P10828 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL14919231 0.84 KMT2A (0.48) SMN1; SMN2MAPK1ALDH1A1HPGDTSHR
SCHEMBL1279945 0.84 SMN1; SMN2 (0.63) SMN1; SMN2MAPK1ALDH1A1HPGDTSHR
SCHEMBL7218028 0.83 ALDH1A1 (0.76) SMN1; SMN2MAPK1ALDH1A1HPGDTSHR
SCHEMBL2221490 0.83 SMN1; SMN2 (0.70) SMN1; SMN2MAPK1ALDH1A1HPGDTSHR
SCHEMBL3553806 0.83 SMN1; SMN2 (0.61) SMN1; SMN2MAPK1ALDH1A1HPGDTSHR
SCHEMBL10153796 0.82 SMN1; SMN2 (0.72) SMN1; SMN2MAPK1ALDH1A1HPGDTSHR
SCHEMBL2955119 0.81 KMT2A (0.62) SMN1; SMN2ALDH1A1HPGDKDM4ENPSR1
SCHEMBL18702790 0.81 ALDH1A1 (0.60) SMN1; SMN2MAPK1ALDH1A1HPGDTSHR
SCHEMBL1384171 0.80 NPC1 (0.74) SMN1; SMN2MAPK1ALDH1A1HPGDTSHR
SCHEMBL7000350 0.80 RAB9A (0.80) SMN1; SMN2MAPK1ALDH1A1HPGDTSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103709163-B Xanthine derivative, Preparation Method And The Use 齐鲁制药有限公司 2016-12-21 CN disclosed
WO-2016014913-A1 INDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2016-01-28 WO disclosed
CN-103709163-A Xanthine derivative, preparation method thereof and uses thereof QILU PHARMACEUTICAL CO LTD 2014-04-09 CN disclosed
US-7605158-B2 Carbamoyl-type benzofuran derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-20 US disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 US disclosed
US-7531537-B2 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-12 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-20090209511-A1 Benzofuran Derivatives F12, F2, F3 SMN1; SMN2 3067/4885MAPK1 1404/4885ALDH1A1 693/4885

“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.