SCHEMBL160350

SCHEMBL160350

CCCCNC(=O)c1c[nH]c([O])n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
HIF1A Q16665 1/20 0.45
KDM4E B2RXH2 2/20 0.44
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
HPGD P15428 2/20 0.41
NAAA Q02083 2/20 0.41
KMT2A Q03164 1/20 0.40
ALOX15 P16050 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL160288 0.90 NPC1 (0.43) SMN1; SMN2RAB9ANPC1LMNATP53
SCHEMBL165610 0.83 CNR1 (0.40) NPC1KDM4EHPGDKMT2AALOX15
SCHEMBL163549 0.76 RAB9A (0.44) HTTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL164028 0.75 TSHR (0.46) HTTTSHRSMN1; SMN2RAB9AKDM4E
SCHEMBL162365 0.74 CREBBP (0.39) TSHRRAB9ANPC1LMNATP53
SCHEMBL18157897 0.73 LMNA (0.68) HTTTSHRSMN1; SMN2RAB9ANPC1
SCHEMBL10245943 0.73 KDM4E (0.49) HTTTSHRSMN1; SMN2RAB9ANPC1
SCHEMBL163376 0.73 JAK2 (0.44) HTTTSHRSMN1; SMN2RAB9ANPC1
SCHEMBL161341 0.72 HDAC3 (0.48) HTTTSHRSMN1; SMN2RAB9ANPC1
SCHEMBL162312 0.72 HDAC3 (0.52) HTTTSHRSMN1; SMN2RAB9ANPC1

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 HTT 72/4885TSHR 4862/4885SMN1; SMN2 1/4885

“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.