SCHEMBL162852

SCHEMBL162852

CCCCNC(=O)c1nc(O)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
TSHR P16473 1/20 0.46
MAOB P27338 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 1/20 0.41
NAAA Q02083 3/20 0.41
HPGD P15428 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
POLB P06746 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
GAA P10253 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
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL162785 0.84 HTT (0.46) HTTTSHRMAOBSMN1; SMN2RAB9A
SCHEMBL163024 0.83 NPC1 (0.37) SMN1; SMN2RAB9AKDM4EHPGDHDAC3
SCHEMBL15204826 0.78 KMT2A (0.44) HTTMAOBSMN1; SMN2RAB9AKDM4E
SCHEMBL160832 0.74 SMN1; SMN2 (0.41) MAOBSMN1; SMN2RAB9AKDM4EHPGD
SCHEMBL10244836 0.73 HDAC3 (0.51) HTTTSHRSMN1; SMN2KDM4ENAAA
SCHEMBL162786 0.72 MEN1 (0.43) HTTTSHRMAOBSMN1; SMN2RAB9A
SCHEMBL161341 0.72 HDAC3 (0.48) HTTTSHRSMN1; SMN2RAB9AKDM4E
SCHEMBL160833 0.70 TSHR (0.46) HTTTSHRMAOBSMN1; SMN2RAB9A
SCHEMBL161612 0.70 ALDH1A1 (0.46) HTTMAOBSMN1; SMN2RAB9AKDM4E
SCHEMBL2352832 0.70 TSHR (0.55) HTTTSHRSMN1; SMN2RAB9AKDM4E

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 4862/4885MAOB 1218/4885

“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.