SCHEMBL163748

SCHEMBL163748

NC(=O)c1cc([O])c2ccc3ccccc3c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 2/20 0.47
HPRT1 P00492 4/20 0.44
SIRT2 Q8IXJ6 3/20 0.43
SIRT1 Q96EB6 3/20 0.43
SIRT3 Q9NTG7 3/20 0.43
HSD17B10 Q99714 4/20 0.41
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
CYP2A6 P11509 1/20 0.40
SOS1 Q07889 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL162740 0.85 ALDH1A1 (0.49) ALDH1A1MAPTHPGDHPRT1HSD17B10
SCHEMBL158321 0.82 KDM4E (0.46) ALDH1A1MAPTHPGDSIRT2SIRT1
SCHEMBL2779319 0.81 ALDH1A1 (0.56) ALDH1A1MAPTHPGDHPRT1HSD17B10
SCHEMBL30811869 0.81 ALDH1A1 (0.56) ALDH1A1MAPTHPGDHPRT1HSD17B10
SCHEMBL163276 0.81 ALDH1A1 (0.51) ALDH1A1MAPTHPGDHPRT1HSD17B10
SCHEMBL1004717 0.80 ALDH1A1 (0.55) ALDH1A1MAPTHPGDHSD17B10TSHR
SCHEMBL166312 0.80 ALDH1A1 (0.47) ALDH1A1MAPTHPGDHPRT1TSHR
SCHEMBL4578803 0.79 ALDH1A1 (0.68) ALDH1A1MAPTHPGDHPRT1HSD17B10
SCHEMBL14354344 0.78 HPRT1 (0.64) ALDH1A1MAPTHPGDHPRT1HSD17B10
SCHEMBL27766656 0.77 ALDH1A1 (0.66) ALDH1A1MAPTHPGDHPRT1HSD17B10

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 1667/4885MAPT 261/4885HPGD 2718/4885

“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.