SCHEMBL164299

SCHEMBL164299

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
MAOB P27338 1/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
ALDH1A1 P00352 4/20 0.40
TP53 P04637 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 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
SCHEMBL162862 0.90 HTT (0.46) POLBNPC1RAB9AALDH1A1TP53
SCHEMBL162173 0.86 KDM4E (0.37) NPC1GAAHPGDKDM4EL3MBTL1
SCHEMBL160114 0.77 PLK1 (0.33) ALDH1A1SMN1; SMN2GAAHPGDKDM4E
SCHEMBL159628 0.74 MEN1 (0.43) MAOBNPC1RAB9AALDH1A1TP53
SCHEMBL159629 0.74 HTT (0.46) POLBNPC1RAB9AALDH1A1TP53
SCHEMBL162560 0.73 NPC1 (0.46) POLBMAOBNPC1RAB9AALDH1A1
SCHEMBL6612262 0.71 POLB (0.45) POLBMAOBNPC1RAB9AALDH1A1
SCHEMBL166417 0.70 ALDH1A1 (0.43) POLBMAOBNPC1RAB9AALDH1A1
SCHEMBL2304408 0.70 POLB (0.47) POLBMAOBNPC1RAB9AALDH1A1
SCHEMBL163237 0.69 NPSR1 (0.41) ALDH1A1HPGDKDM4ETDP1KMT2A

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 POLB 690/4885MAOB 1218/4885NPC1 1201/4885

“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.