SCHEMBL166417

SCHEMBL166417

CCCOC(=O)c1nc([O])co1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ESR1 P03372 1/20 0.41
CHRM1 P11229 1/20 0.41
SLC6A2 P23975 1/20 0.41
KDR P35968 1/20 0.41
MAOB P27338 2/20 0.40
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
STS P08842 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 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
SCHEMBL163722 0.90 TSHR (0.46) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL161794 0.86 CYP1A2 (0.44) ALDH1A1LMNATSHRESR1MAOB
SCHEMBL162927 0.79 ALDH1A1 (0.45) ALDH1A1LMNATSHRTDP1KDM4E
SCHEMBL163237 0.77 NPSR1 (0.41) ALDH1A1TSHRTDP1KDRKDM4E
SCHEMBL163138 0.73 ALDH1A1 (0.43) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL162057 0.72 CA12 (0.38) ALDH1A1LMNAKDM4EKMT2AMAPT
SCHEMBL15204449 0.72 MAPT (0.34) ALDH1A1KDM4EKMT2AMAPTSMN1; SMN2
SCHEMBL27865478 0.71 CES1 (0.44) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL14850835 0.70 CYP1A2 (0.46) ALDH1A1LMNATSHRESR1KDM4E
SCHEMBL20267830 0.70 ALDH1A1 (0.43) ALDH1A1LMNATSHRTDP1ESR1

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 1667/4885LMNA 462/4885TSHR 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.