SCHEMBL163702

SCHEMBL163702

CCOC(=O)c1nccc([O])n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
NUDT1 P36639 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
JMJD6 Q6NYC1 2/20 0.40
CDC7 O00311 2/20 0.40
DBF4 Q9UBU7 2/20 0.40
RAB9A P51151 2/20 0.40
BRD4 O60885 1/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
LMNA P02545 2/20 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
SCHEMBL165493 0.87 ALDH1A1 (0.46) TSHRKMT2AESR1JMJD6RAB9A
SCHEMBL12396913 0.84 CYP1A2 (0.49) CYP1A2NUDT1TSHRKMT2ACA12
SCHEMBL160893 0.84 TSHR (0.49) CYP1A2TSHRKMT2AESR1RAB9A
SCHEMBL489624 0.83 CYP1A2 (0.61) CYP1A2NUDT1TSHRKMT2ACA12
SCHEMBL24759732 0.83 CYP1A2 (0.47) CYP1A2NUDT1TSHRKMT2ACA12
SCHEMBL162505 0.82 ALDH1A1 (0.47) TSHRKMT2AJMJD6RAB9AMEN1
SCHEMBL16796251 0.81 KMT2A (0.47) CYP1A2NUDT1TSHRKMT2ACA12
SCHEMBL10829516 0.81 ALDH1A1 (0.46) CYP1A2NUDT1TSHRKMT2ACDC7
SCHEMBL17420893 0.81 CYP1A2 (0.46) CYP1A2NUDT1TSHRKMT2ACA12
SCHEMBL165741 0.80 KDM4E (0.41) TSHRKMT2AJMJD6KDM4EALDH1A1

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 4010/4885NUDT1 625/4885TSHR 4862/4885

“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.