SCHEMBL161806

SCHEMBL161806

CC(C)CNC(=O)c1cc([O])co1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 3/20 0.47
HSD17B10 Q99714 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 5/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 2/20 0.40
ALPL P05186 1/20 0.40
MAOB P27338 1/20 0.40
MLYCD O95822 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 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
SCHEMBL163823 0.81 MAPK1 (0.37) LMNAGAAKMT2AHPGDTP53
SCHEMBL162779 0.78 POLB (0.53) KDM4ELMNAGAAKMT2AHPGD
SCHEMBL162633 0.77 NPC1 (0.38) KDM4ELMNAGAAKMT2AHPGD
SCHEMBL162865 0.75 CYP1A2 (0.44) LMNAGAAHSD17B10KMT2AHPGD
SCHEMBL163909 0.74 KDM4E (0.36) HTTKDM4EGAAHPGDRAB9A
SCHEMBL2908793 0.70 HSD17B10 (0.78) HTTKDM4ELMNAGAAHSD17B10
SCHEMBL26469146 0.69 KDM4E (0.71) HTTKDM4ELMNAGAAHSD17B10
SCHEMBL161551 0.69 RAB9A (0.48) HTTKDM4ELMNAGAAHSD17B10
SCHEMBL158297 0.69 HTT (0.44) HTTKDM4ELMNAGAAHSD17B10
SCHEMBL26213650 0.69 RAB9A (0.51) HTTKDM4ELMNAGAAHSD17B10

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 HTT 72/4885KDM4E 2214/4885LMNA 462/4885

“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.