SCHEMBL162961

SCHEMBL162961

CCCOC(=O)c1c[nH]nc1[O]

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
LMNA P02545 2/20 0.43
TSHR P16473 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
ESR1 P03372 1/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 1/20 0.42
KDR P35968 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 3/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.39
MAOB P27338 1/20 0.38
GRM1 Q13255 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL164432 0.90 TSHR (0.56) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL161443 0.86 KMT2A (0.50) ALDH1A1LMNATSHRL3MBTL1HSD17B10
SCHEMBL162881 0.78 TSHR (0.54) ALDH1A1TSHRTDP1L3MBTL1KDM4E
SCHEMBL2594740 0.78 ALDH1A1 (0.47) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL165475 0.76 TSHR (0.43) ALDH1A1LMNATSHRHSD17B10KDM4E
SCHEMBL161715 0.73 L3MBTL1 (0.41) ALDH1A1LMNATSHRL3MBTL1HSD17B10
SCHEMBL4748492 0.73 TSHR (0.56) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL829756 0.73 ALDH1A1 (0.69) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL162415 0.71 CA12 (0.42) ALDH1A1LMNAL3MBTL1HSD17B10KDM4E
SCHEMBL159358 0.71 ALDH1A1 (0.35) ALDH1A1LMNAHSD17B10TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 WO 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 ALDH1A1 1667/4885LMNA 462/4885TSHR 4862/4885

“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.