SCHEMBL164500

SCHEMBL164500

CCCOC(=O)n1ccnc1[O]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 1/20 0.38
ALDH1A1 P00352 4/20 0.38
ESR1 P03372 1/20 0.38
CHRM1 P11229 1/20 0.38
TSHR P16473 1/20 0.38
SLC6A2 P23975 1/20 0.38
KDR P35968 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
OPRD1 P41143 1/20 0.37
LPO P22079 4/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 2/20 0.36
SMYD3 Q9H7B4 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
CYP19A1 P11511 2/20 0.34
BCHE P06276 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL162550 0.90 BCHE (0.43) ALDH1A1ESR1TSHRTDP1OPRD1
SCHEMBL165585 0.88 LPO (0.46) JMJD6ALDH1A1ESR1LPOLMNA
SCHEMBL159377 0.79 P2RX4 (0.40) JMJD6ALDH1A1TSHRTDP1LPO
SCHEMBL162479 0.77 LPO (0.43) JMJD6ALDH1A1TSHROPRD1LPO
SCHEMBL29233990 0.76 HRH2 (0.35) JMJD6ALDH1A1TDP1OPRD1LPO
SCHEMBL161242 0.74 KMT2A (0.41) SMN1; SMN2
SCHEMBL28785277 0.73 BCHE (0.43) ALDH1A1ESR1TSHRTDP1OPRD1
SCHEMBL10516104 0.73 TSHR (0.43) ALDH1A1ESR1TSHRLMNACYP1A2
SCHEMBL29117082 0.73 LPO (0.49) JMJD6ALDH1A1LPOLMNACYP1A2
SCHEMBL159835 0.72 GPR119 (0.38) OPRD1BCHE

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 JMJD6 2475/4885ALDH1A1 1667/4885ESR1 4725/4885

“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.