SCHEMBL165585

SCHEMBL165585

CCOC(=O)n1ccnc1[O]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPO P22079 4/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 1/20 0.38
BCHE P06276 1/20 0.37
JMJD6 Q6NYC1 1/20 0.36
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA7 P43166 3/20 0.35
CA9 Q16790 3/20 0.35
CA14 Q9ULX7 3/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL164500 0.88 JMJD6 (0.38) LPOLMNACYP1A2ALDH1A1KDM4E
SCHEMBL162550 0.85 BCHE (0.43) LMNACYP1A2ALDH1A1KDM4EBCHE
SCHEMBL29117082 0.85 LPO (0.49) LPOLMNACYP1A2ALDH1A1KDM4E
SCHEMBL159377 0.83 P2RX4 (0.40) LPOLMNACYP1A2ALDH1A1HPGD
Benzene SCHEMBL27312447 0.81 LPO (0.46) LPOLMNACYP1A2ALDH1A1KDM4E
SCHEMBL162479 0.81 LPO (0.43) LPOALDH1A1KDM4EHSD17B10BCHE
SCHEMBL8710113 0.80 LPO (0.45) LPOLMNACYP1A2ALDH1A1KDM4E
SCHEMBL2407748 0.79 LPO (0.44) LPOLMNACYP1A2ALDH1A1KDM4E
SCHEMBL15522311 0.79 LPO (0.44) LPOLMNACYP1A2ALDH1A1KDM4E
SCHEMBL20510164 0.79 LPO (0.44) LPOLMNACYP1A2ALDH1A1KDM4E

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 LPO 41/4885LMNA 462/4885CYP1A2 4010/4885

“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.