SCHEMBL160832

SCHEMBL160832

CCCNC(=O)c1nc([O])cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
HPGD P15428 4/20 0.41
POLB P06746 3/20 0.41
GAA P10253 4/20 0.40
ALDH1A1 P00352 3/20 0.38
TP53 P04637 2/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 2/20 0.37
ESR1 P03372 1/20 0.37
JMJD7 P0C870 1/20 0.37
MAPT P10636 1/20 0.37
STAT3 P40763 1/20 0.37
STAT1 P42224 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
ERCC1 P07992 1/20 0.37
FEN1 P39748 1/20 0.37
ERCC4 Q92889 1/20 0.37
HDAC3 O15379 1/20 0.37

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 0.90 HTT (0.46) SMN1; SMN2HPGDPOLBGAATP53
SCHEMBL163023 0.86 NPC1 (0.37) SMN1; SMN2HPGDGAAALDH1A1NPC1
SCHEMBL162901 0.80 KMT2A (0.44) SMN1; SMN2HPGDPOLBGAAALDH1A1
SCHEMBL163473 0.77 HPGD (0.40) SMN1; SMN2HPGDPOLBGAAALDH1A1
SCHEMBL162852 0.74 HTT (0.46) SMN1; SMN2HPGDPOLBGAATP53
SCHEMBL162851 0.74 MEN1 (0.43) SMN1; SMN2HPGDPOLBGAAALDH1A1
SCHEMBL162465 0.73 GAA (0.52) SMN1; SMN2HPGDPOLBGAAALDH1A1
SCHEMBL161611 0.72 ALDH1A1 (0.46) SMN1; SMN2HPGDPOLBGAAALDH1A1
SCHEMBL159473 0.72 TSHR (0.46) SMN1; SMN2HPGDGAAALDH1A1TP53
SCHEMBL3436865 0.70 HDAC3 (0.61) SMN1; SMN2HPGDPOLBGAAALDH1A1

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 SMN1; SMN2 1/4885HPGD 2718/4885POLB 690/4885

“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.