SCHEMBL163082

SCHEMBL163082

CCCNC(=O)c1ccnnc1[O]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
THRB P10828 1/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
HPGD P15428 3/20 0.40
MAOB P27338 1/20 0.40
NAAA Q02083 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KDM6B O15054 1/20 0.38
KDM4C Q9H3R0 1/20 0.38

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
SCHEMBL163036 0.91 TSHR (0.57) L3MBTL1TSHRHTTALDH1A1GAA
SCHEMBL165748 0.87 L3MBTL1 (0.41) POLBL3MBTL1THRBRECQLTDP1
SCHEMBL162468 0.79 KMT2A (0.45) POLBTSHRHTTALDH1A1GAA
SCHEMBL161696 0.78 GAA (0.40) TSHRHTTGAAADRA1DADRA1A
SCHEMBL162691 0.77 TSHR (0.51) POLBL3MBTL1THRBRECQLTDP1
SCHEMBL161246 0.75 MEN1 (0.53) POLBL3MBTL1RECQLTSHRHTT
SCHEMBL161919 0.73 ALOX5 (0.41) TSHRHTTALDH1A1GAAADRA1D
SCHEMBL163192 0.73 POLB (0.42) POLBL3MBTL1TSHRHTTALDH1A1
SCHEMBL14731434 0.72 P2RX7 (0.62) L3MBTL1ALDH1A1GAAKMT2AHPGD
SCHEMBL22505247 0.71 POLB (0.61) POLBL3MBTL1THRBRECQLTDP1

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 POLB 690/4885L3MBTL1 1654/4885THRB 4816/4885

“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.