SCHEMBL159473

SCHEMBL159473

CC(C)NC(=O)c1nc([O])cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
CHRM4 P08173 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TP53 P04637 2/20 0.34
HPGD P15428 2/20 0.34
MLYCD O95822 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
CNR1 P21554 1/20 0.34
GRM5 P41594 1/20 0.33
MAPT P10636 1/20 0.33
PRKCZ Q05513 1/20 0.33
RECQL P46063 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL162851 0.83 MEN1 (0.43) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL162901 0.83 KMT2A (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL160833 0.82 TSHR (0.46) TSHRALOX15CASP1NPC1RAB9A
SCHEMBL163473 0.79 HPGD (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL15221459 0.78 ATAD2 (0.48) TSHRALOX15CASP1NPC1RAB9A
SCHEMBL162705 0.76 ALDH1A1 (0.42) TSHRSMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL158356 0.75 CA12 (0.38) NPC1RAB9AALDH1A1TP53MAPT
SCHEMBL163023 0.75 NPC1 (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL161611 0.75 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL160832 0.72 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1TP53

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 4862/4885ALOX15 417/4885CASP1 2014/4885

“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.