SCHEMBL163971

SCHEMBL163971

CCCCNC(=O)c1cc([O])ccn1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 6/20 0.50
HTT P42858 3/20 0.49
TSHR P16473 1/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
HIF1A Q16665 1/20 0.47
NAAA Q02083 2/20 0.47
KMT2A Q03164 2/20 0.45
HPGD P15428 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.44
ALOX15 P16050 1/20 0.43

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
SCHEMBL162061 0.91 NPC1 (0.48) KDM4ESMN1; SMN2NPC1RAB9ALMNA
SCHEMBL162424 0.84 PARP1 (0.45) KDM4EHTTNPC1RAB9ALMNA
SCHEMBL27918571 0.84 ALDH1A1 (0.52) KDM4ESMN1; SMN2HTTTSHRNPC1
SCHEMBL31500514 0.79 KDM4E (0.58) KDM4ESMN1; SMN2NPC1RAB9ALMNA
SCHEMBL13822112 0.79 KDM4E (0.58) KDM4ESMN1; SMN2NPC1RAB9ANAAA
SCHEMBL163044 0.79 KDM4E (0.50) KDM4ESMN1; SMN2HTTTSHRNPC1
SCHEMBL6072425 0.78 KDM4E (0.60) KDM4ENPC1RAB9ANAAAKMT2A
SCHEMBL6357075 0.78 SMN1; SMN2 (0.74) SMN1; SMN2HTTTSHRKMT2AALDH1A1
SCHEMBL162598 0.78 RAB9A (0.50) KDM4ESMN1; SMN2HTTTSHRNPC1
SCHEMBL163711 0.77 KDR (0.48) KDM4ETSHRNPC1RAB9ALMNA

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.