SCHEMBL161556

SCHEMBL161556

CC(C)NC(=O)c1cc([O])ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.51
ANO1 Q5XXA6 2/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
TSHR P16473 1/20 0.46
PARP1 P09874 1/20 0.45
CHRM2 P08172 1/20 0.44
GRM5 P41594 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
FDPS P14324 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
CNR1 P21554 1/20 0.42
RAF1 P04049 1/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.41
MLLT1 Q03111 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CTSA P10619 2/20 0.39

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
SCHEMBL164646 0.84 ANO1 (0.51) KDM4CANO1NPC1RAB9APARP1
SCHEMBL8486170 0.83 CTSA (0.54) KDM4CANO1NPC1RAB9ATSHR
SCHEMBL163711 0.82 KDR (0.48) KDM4CNPC1RAB9ATSHRPARP1
SCHEMBL178048 0.81 KDM4C (0.75) KDM4CANO1NPC1RAB9ATSHR
SCHEMBL25820328 0.81 KDM4C (0.50) KDM4CANO1NPC1RAB9ATSHR
SCHEMBL162598 0.80 RAB9A (0.50) KDM4CNPC1RAB9ATSHRSMN1; SMN2
SCHEMBL25832636 0.79 CTSA (0.57) KDM4CANO1NPC1RAB9ATSHR
SCHEMBL19249060 0.78 GRM5 (0.50) KDM4CANO1NPC1RAB9ATSHR
SCHEMBL163424 0.77 ALDH1A1 (0.51) KDM4CPARP1ALDH1A1HPGDKDM4E
SCHEMBL162424 0.76 PARP1 (0.45) NPC1RAB9APARP1HTTCNR1

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 KDM4C 2245/4885ANO1 2970/4885NPC1 1201/4885

“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.