SCHEMBL163915

SCHEMBL163915

CCCCNC(=O)c1conc1[O]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
NAAA Q02083 4/20 0.47
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
HIF1A Q16665 1/20 0.42
NR5A2 O00482 1/20 0.42
NR5A1 Q13285 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42

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
SCHEMBL162239 0.90 POLB (0.47) TSHRHTTSMN1; SMN2HPGDLMNA
SCHEMBL163200 0.83 L3MBTL1 (0.39) TSHRHPGDLMNAL3MBTL1
SCHEMBL163561 0.76 RAB9A (0.44) TSHRHTTSMN1; SMN2HPGDLMNA
SCHEMBL14811748 0.74 TSHR (0.71) TSHRHTTSMN1; SMN2HPGDLMNA
SCHEMBL164518 0.73 TSHR (0.56) TSHRHTTSMN1; SMN2HPGDLMNA
SCHEMBL162023 0.72 TSHR (0.54) TSHRHTTSMN1; SMN2HPGDLMNA
SCHEMBL158899 0.72 TSHR (0.54) TSHRSMN1; SMN2LMNAALDH1A1L3MBTL1
SCHEMBL163314 0.72 KMT2A (0.50) TSHRHTTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL163036 0.71 TSHR (0.57) TSHRHTTSMN1; SMN2HPGDLMNA
SCHEMBL161560 0.71 HTT (0.66) TSHRHTTSMN1; SMN2HPGDLMNA

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.