SCHEMBL138440

SCHEMBL138440

N#CC1COCCN1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
USP30 Q70CQ3 1/20 0.41
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.35
AKR1C3 P42330 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PIK3C3 Q8NEB9 4/20 0.34
GRM5 P41594 1/20 0.33
NR3C2 P08235 1/20 0.33
GAA P10253 1/20 0.33
AR P10275 2/20 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
SCHEMBL5528454 0.75 PREP (0.49) MAPTALDH1A1CYP2C19CYP1A2SMN1; SMN2
SCHEMBL31051684 0.74 LMNA (0.47) LMNAUSP30MAPTNPSR1ALDH1A1
SCHEMBL28414703 0.74 AR (0.55) USP30MAPTNPSR1AR
SCHEMBL27878581 0.74 LMNA (0.47) LMNAMAPTNPSR1ALDH1A1CYP2C9
SCHEMBL10880845 0.74 LMNA (0.47) LMNAMAPTNPSR1ALDH1A1CYP2C9
SCHEMBL6536162 0.74 LMNA (0.47) LMNAMAPTNPSR1ALDH1A1CYP2C9
SCHEMBL31051683 0.74 LMNA (0.47) LMNAMAPTNPSR1ALDH1A1CYP2C9
SCHEMBL27320448 0.74 PIK3C3 (0.54) LMNAPIK3C3
SCHEMBL137068 0.74 LMNA (0.47) LMNAMAPTNPSR1ALDH1A1CYP2C9
SCHEMBL27318560 0.74 PIK3C3 (0.54) LMNAPIK3C3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059165-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI (FR) 2012-03-08 US disclosed
EP-2406254-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI (FR) 2012-01-18 EP disclosed
WO-2010104193-A3 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-11-18 WO disclosed
WO-2010104193-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-16 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-20120059165-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF HRH4, HNMT, CYP3A4 LMNA 2935/4885USP30 3554/4885MAPT 1521/4885

“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.