SCHEMBL165586

SCHEMBL165586

CCOC(=O)c1c[nH]c([O])n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.41
POLB P06746 2/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 1/20 0.40
HPGD P15428 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL164501 0.86 ALDH1A1 (0.43) CYP1A2ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL6801869 0.84 CYP1A2 (0.55) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL162551 0.83 LMNA (0.49) CYP1A2ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL3809367 0.82 CYP1A2 (0.53) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL24520477 0.81 CYP1A2 (0.51) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL269623 0.81 CYP1A2 (0.51) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL27348210 0.81 CYP1A2 (0.51) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL1407854 0.81 CYP1A2 (0.51) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL27309405 0.81 CYP1A2 (0.51) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL162480 0.79 MAPK1 (0.43) CYP1A2ALDH1A1MEN1KMT2AMAPT

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 CYP1A2 4010/4885ALDH1A1 1667/4885MEN1 4776/4885

“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.