SCHEMBL102155

SCHEMBL102155

CC(=O)O/N=C(\N)c1ccc([C@H]2CN([C@H](C)c3ccccc3)CCO2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
MASP2 O00187 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LTA4H P09960 2/20 0.37
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 1/20 0.35
BRD4 O60885 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
DRD3 P35462 1/20 0.34
HTR2B P41595 1/20 0.34
DRD4 P21917 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL102399 0.86 LTA4H (0.39) LTA4HTSHRALDH1A1CYP3A4CYP2C19
SCHEMBL135968 0.86 LTA4H (0.39) LTA4HTSHRALDH1A1CYP3A4CYP2C19
SCHEMBL135969 0.86 LTA4H (0.39) LTA4HTSHRALDH1A1CYP3A4CYP2C19
SCHEMBL27684474 0.83 ALDH1A1 (0.43) LMNAL3MBTL1LTA4HTSHRALDH1A1
SCHEMBL83427 0.83 ALDH1A1 (0.43) LMNAL3MBTL1LTA4HTSHRALDH1A1
SCHEMBL1136443 0.78 HPGD (0.49) LMNASMN1; SMN2HTTL3MBTL1LTA4H
SCHEMBL81951 0.78 HPGD (0.49) LMNASMN1; SMN2HTTL3MBTL1LTA4H
SCHEMBL3805223 0.77 ALDH1A1 (0.45) LMNASMN1; SMN2HTTLTA4HTSHR
SCHEMBL81946 0.77 ALDH1A1 (0.45) LMNASMN1; SMN2HTTLTA4HTSHR
SCHEMBL82176 0.77 CYP2D6 (0.45) LTA4HTSHRALDH1A1CYP3A4CYP2C19

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 1 patent. 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

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 2935/4885SMN1; SMN2 2443/4885HTT 239/4885

“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.