SCHEMBL163355

SCHEMBL163355

CCCOC(=O)c1cccnc1[O]

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
TSHR P16473 7/20 0.51
L3MBTL1 Q9Y468 5/20 0.51
TDP1 Q9NUW8 4/20 0.51
MAPK1 P28482 3/20 0.50
CYP3A4 P08684 2/20 0.50
TP53 P04637 1/20 0.50
LMNA P02545 2/20 0.49
KDM4E B2RXH2 2/20 0.47
KDM4A O75164 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
HSD17B10 Q99714 2/20 0.45
HTT P42858 1/20 0.44
ESR1 P03372 1/20 0.44
CHRM1 P11229 1/20 0.44
SLC6A2 P23975 1/20 0.44
KDR P35968 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL163568 0.91 TSHR (0.66) ALDH1A1TSHRL3MBTL1TDP1MAPK1
SCHEMBL162019 0.87 TSHR (0.61) ALDH1A1TSHRL3MBTL1MAPK1TP53
SCHEMBL19852373 0.84 ALDH1A1 (0.64) ALDH1A1TSHRL3MBTL1TDP1MAPK1
SCHEMBL8407020 0.84 ALDH1A1 (0.64) ALDH1A1TSHRL3MBTL1TDP1MAPK1
SCHEMBL25421430 0.83 ALDH1A1 (0.62) ALDH1A1TSHRL3MBTL1TDP1MAPK1
SCHEMBL27492813 0.81 ALDH1A1 (0.60) ALDH1A1TSHRL3MBTL1TDP1MAPK1
SCHEMBL11846633 0.80 ALDH1A1 (0.58) ALDH1A1TSHRL3MBTL1TDP1MAPK1
SCHEMBL162690 0.79 ALDH1A1 (0.65) ALDH1A1TSHRL3MBTL1TDP1MAPK1
SCHEMBL112063 0.79 ALDH1A1 (1.00) ALDH1A1TSHRL3MBTL1TDP1MAPK1
SCHEMBL19066309 0.79 ALDH1A1 (1.00) ALDH1A1TSHRL3MBTL1TDP1MAPK1

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 1667/4885TSHR 4862/4885L3MBTL1 1654/4885

“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.