SCHEMBL162019

SCHEMBL162019

CCOC(=O)c1cccnc1[O]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
HTT P42858 1/20 0.56
ALDH1A1 P00352 5/20 0.53
HSD17B10 Q99714 2/20 0.53
L3MBTL1 Q9Y468 3/20 0.51
BRD4 O60885 1/20 0.50
PPIA P62937 1/20 0.49
TBXAS1 P24557 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP1A2 P05177 1/20 0.47
ELANE P08246 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL163355 0.87 ALDH1A1 (0.64) TSHRHTTALDH1A1HSD17B10L3MBTL1
SCHEMBL109206 0.84 TSHR (0.63) TSHRHTTALDH1A1HSD17B10L3MBTL1
SCHEMBL29571304 0.84 TSHR (0.63) TSHRHTTALDH1A1HSD17B10L3MBTL1
SCHEMBL163568 0.84 TSHR (0.66) TSHRALDH1A1HSD17B10L3MBTL1MAPK1
SCHEMBL6043587 0.83 TSHR (0.61) TSHRHTTALDH1A1HSD17B10L3MBTL1
SCHEMBL29870373 0.83 BRD4 (0.61) TSHRHTTALDH1A1HSD17B10L3MBTL1
SCHEMBL1737254 0.83 BRD4 (0.61) TSHRHTTALDH1A1HSD17B10L3MBTL1
SCHEMBL162690 0.82 ALDH1A1 (0.65) TSHRHTTALDH1A1HSD17B10L3MBTL1
SCHEMBL1313733 0.81 L3MBTL1 (0.74) HTTALDH1A1L3MBTL1MAPK1POLB
SCHEMBL49913 0.81 POLB (0.66) TSHRHTTALDH1A1L3MBTL1CYP1A2

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 TSHR 4862/4885HTT 72/4885ALDH1A1 1667/4885

“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.