SCHEMBL163840

SCHEMBL163840

CC(C)CNC(=O)c1cc([O])cnn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
HPGD P15428 5/20 0.47
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 3/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
MLYCD O95822 1/20 0.38
TP53 P04637 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 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
SCHEMBL162165 0.82 CNR1 (0.39) RAB9AHPGDKMT2AGAASMN1; SMN2
SCHEMBL163643 0.79 POLB (0.43) RAB9AHPGDGAANPC1SMN1; SMN2
SCHEMBL162790 0.79 NPC1 (0.39) RAB9AHPGDNPC1SMN1; SMN2HTT
SCHEMBL160190 0.77 KDM4E (0.47) RAB9AHPGDKMT2ANPC1SMN1; SMN2
SCHEMBL164703 0.76 BAZ2B (0.41) RAB9AHPGDHSD17B10GAANPC1
SCHEMBL162598 0.76 RAB9A (0.50) RAB9AHPGDKMT2AHSD17B10GAA
SCHEMBL165757 0.72 CNR2 (0.37) RAB9AHPGDHSD17B10GAANPC1
SCHEMBL159824 0.71 RAB9A (0.64) RAB9AHPGDKMT2AHSD17B10GAA
SCHEMBL163201 0.70 RAB9A (0.44) RAB9AHPGDKMT2AHSD17B10GAA
SCHEMBL160431 0.70 RAB9A (0.48) RAB9AHPGDKMT2AHSD17B10GAA

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 RAB9A 3460/4885HPGD 2718/4885KMT2A 2544/4885

“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.