SCHEMBL160190

SCHEMBL160190

CCCCNC(=O)c1cc([O])cnn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HIF1A Q16665 1/20 0.44
HPGD P15428 2/20 0.42
KMT2A Q03164 1/20 0.42
NAAA Q02083 2/20 0.40
ALDH1A1 P00352 2/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
CSNK2A2 P19784 1/20 0.39
KDR P35968 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
NR5A2 O00482 1/20 0.38

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
SCHEMBL163643 0.91 POLB (0.43) KDM4ESMN1; SMN2RAB9ANPC1LMNA
SCHEMBL162165 0.84 CNR1 (0.39) KDM4ESMN1; SMN2RAB9ALMNAHPGD
SCHEMBL163840 0.77 RAB9A (0.47) KDM4ESMN1; SMN2HTTTSHRRAB9A
SCHEMBL163971 0.76 KDM4E (0.54) KDM4ESMN1; SMN2HTTTSHRRAB9A
SCHEMBL164703 0.75 BAZ2B (0.41) KDM4ETSHRRAB9ANPC1LMNA
SCHEMBL164034 0.72 NPC1 (0.59) KDM4ESMN1; SMN2HTTTSHRRAB9A
SCHEMBL23015812 0.72 RAB9A (0.44) KDM4ESMN1; SMN2HTTRAB9ANPC1
SCHEMBL160095 0.71 KDM4E (0.55) KDM4ESMN1; SMN2HTTTSHRRAB9A
SCHEMBL15799161 0.71 HTT (0.50) KDM4ESMN1; SMN2HTTTSHRRAB9A
SCHEMBL162312 0.71 HDAC3 (0.52) KDM4ESMN1; SMN2HTTTSHRRAB9A

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 KDM4E 2214/4885SMN1; SMN2 1/4885HTT 72/4885

“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.