SCHEMBL162598

SCHEMBL162598

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.50
HPGD P15428 5/20 0.50
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HTT P42858 2/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
MLYCD O95822 1/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.41
IDH1 O75874 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL162424 0.83 PARP1 (0.45) RAB9ANPC1HTTLMNAPOLB
SCHEMBL162061 0.81 NPC1 (0.48) RAB9AHPGDNPC1SMN1; SMN2KMT2A
SCHEMBL22972380 0.80 LOXL2 (0.64) RAB9AHPGDNPC1SMN1; SMN2KMT2A
SCHEMBL161556 0.80 KDM4C (0.51) RAB9AHPGDNPC1SMN1; SMN2HTT
SCHEMBL159528 0.79 RAB9A (0.47) RAB9AHPGDNPC1SMN1; SMN2KMT2A
SCHEMBL163711 0.79 KDR (0.48) RAB9AHPGDNPC1HSD17B10ALDH1A1
SCHEMBL164646 0.78 ANO1 (0.51) RAB9ANPC1SMN1; SMN2KMT2AHSD17B10
SCHEMBL163971 0.78 KDM4E (0.54) RAB9AHPGDNPC1SMN1; SMN2KMT2A
SCHEMBL4260290 0.77 KMT2A (0.59) SMN1; SMN2KMT2AHSD17B10HTTGAA
SCHEMBL163840 0.76 RAB9A (0.47) RAB9AHPGDNPC1SMN1; SMN2KMT2A

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 2718/4885NPC1 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.