SCHEMBL164604

SCHEMBL164604

CCCOC(=O)c1nccnc1[O]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.44
ESR1 P03372 1/20 0.43
CHRM1 P11229 1/20 0.43
TSHR P16473 1/20 0.43
SLC6A2 P23975 1/20 0.43
KDR P35968 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
RAB9A P51151 1/20 0.41
ELANE P08246 2/20 0.40
JMJD6 Q6NYC1 1/20 0.40
BRD4 O60885 1/20 0.38
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
STS P08842 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GABRP O00591 1/20 0.36

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
SCHEMBL162712 0.90 LMNA (0.55) ALDH1A1LMNAESR1TSHRTDP1
SCHEMBL159285 0.85 BRD4 (0.50) ALDH1A1TSHRMAPTNPC1BRD4
SCHEMBL3725373 0.81 ALDH1A1 (0.49) ALDH1A1LMNAESR1CHRM1TSHR
SCHEMBL163270 0.77 TSHR (0.47) ALDH1A1LMNATSHRTDP1MAPT
SCHEMBL162243 0.75 L3MBTL1 (0.53) ALDH1A1TSHRMAPTKDM4EL3MBTL1
SCHEMBL129298 0.75 BRD4 (0.51) ALDH1A1LMNAESR1CHRM1TSHR
SCHEMBL8407020 0.75 ALDH1A1 (0.64) ALDH1A1LMNAESR1CHRM1TSHR
SCHEMBL163355 0.75 ALDH1A1 (0.64) ALDH1A1LMNAESR1CHRM1TSHR
SCHEMBL4066351 0.73 ALDH1A1 (0.49) ALDH1A1LMNAESR1CHRM1TSHR
SCHEMBL129297 0.73 ALDH1A1 (0.49) ALDH1A1LMNAESR1CHRM1TSHR

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 462/4885ESR1 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.