SCHEMBL159508

SCHEMBL159508

CCCCNC(=O)c1cc(O)cs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
GAA P10253 3/20 0.46
CSNK2A2 P19784 1/20 0.46
KDR P35968 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
NR5A2 O00482 1/20 0.46
NR5A1 Q13285 1/20 0.46
NAAA Q02083 2/20 0.46
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44
HDAC3 O15379 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL3195666 0.94 NAAA (0.54) RAB9ASMN1; SMN2NAAALMNAL3MBTL1
SCHEMBL162575 0.84 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2TSHRHTTGAA
SCHEMBL163821 0.83 ALDH1A1 (0.53) RAB9ASMN1; SMN2TSHRHTTGAA
SCHEMBL164457 0.77 GAA (0.49) RAB9ASMN1; SMN2TSHRHTTGAA
SCHEMBL13484394 0.74 NPC1 (0.50) RAB9ANAAAL3MBTL1KDM4E
SCHEMBL163427 0.73 SMN1; SMN2 (0.42) RAB9ASMN1; SMN2GAALMNAL3MBTL1
SCHEMBL4045277 0.72 KDM4E (0.81) RAB9ASMN1; SMN2TSHRHTTGAA
SCHEMBL2914113 0.71 SMN1; SMN2 (0.79) SMN1; SMN2TSHRHTTNAAAL3MBTL1
SCHEMBL14811748 0.71 TSHR (0.71) RAB9ASMN1; SMN2TSHRHTTNR5A2
SCHEMBL3192189 0.71 NAAA (0.45) TSHRNAAAL3MBTL1KDM4EALDH1A1

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 RAB9A 3460/4885SMN1; SMN2 1/4885TSHR 4862/4885

“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.