SCHEMBL161198

SCHEMBL161198

CCCCNC(=O)c1nc(O)c[nH]1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
CSNK2A2 P19784 1/20 0.42
KDR P35968 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
GPR84 Q9NQS5 2/20 0.41
NAAA Q02083 2/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 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
SCHEMBL164028 0.84 TSHR (0.46) TSHRHTTSMN1; SMN2DRD2DRD3
SCHEMBL159512 0.83 PIN1 (0.36) HPGDKDM4EALOX15L3MBTL1
SCHEMBL163004 0.76 KMT2A (0.42) HTTSMN1; SMN2HPGDALDH1A1KDM4E
SCHEMBL165962 0.74 POLB (0.41) HTTDRD2DRD3KDRHPGD
SCHEMBL11260129 0.73 HTT (0.47) TSHRHTTSMN1; SMN2DRD2DRD3
SCHEMBL160350 0.72 HTT (0.46) TSHRHTTSMN1; SMN2DRD2DRD3
SCHEMBL164029 0.72 MEN1 (0.44) TSHRHTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL165035 0.70 SYK (0.37) ALDH1A1L3MBTL1
SCHEMBL2352832 0.70 TSHR (0.55) TSHRHTTSMN1; SMN2DRD2DRD3
SCHEMBL2914113 0.70 SMN1; SMN2 (0.79) TSHRHTTSMN1; SMN2NAAAHPGD

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 TSHR 4862/4885HTT 72/4885SMN1; 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.