SCHEMBL5956844

SCHEMBL5956844

COC(=O)c1ccc2c(c1)OCC[C@H]2SN=[N+]=[N-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
TP53 P04637 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
HPGD P15428 2/20 0.35
CYP2C9 P11712 1/20 0.35
PPM1B O75688 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
SCHEMBL5956906 1.00 SMN1; SMN2 (0.36) SMN1; SMN2RAB9ANPC1CASP3SENP7
SCHEMBL5956834 1.00 SMN1; SMN2 (0.36) SMN1; SMN2RAB9ANPC1CASP3SENP7
SCHEMBL5956793 0.83 SMN1; SMN2 (0.40) SMN1; SMN2RAB9ANPC1CASP3SENP7
SCHEMBL5956765 0.83 SMN1; SMN2 (0.40) SMN1; SMN2RAB9ANPC1CASP3SENP7
SCHEMBL5956601 0.83 SMN1; SMN2 (0.40) SMN1; SMN2RAB9ANPC1CASP3SENP7
SCHEMBL5956823 0.82 SMN1; SMN2 (0.39) SMN1; SMN2RAB9ANPC1CASP3SENP7
SCHEMBL5956820 0.82 SMN1; SMN2 (0.39) SMN1; SMN2RAB9ANPC1CASP3SENP7
SCHEMBL5956847 0.82 SMN1; SMN2 (0.39) SMN1; SMN2RAB9ANPC1CASP3SENP7
SCHEMBL4336961 0.76 MAP3K14 (0.54) SMN1; SMN2RAB9ANPC1CASP3SENP7
SCHEMBL4336968 0.76 MAP3K14 (0.54) SMN1; SMN2RAB9ANPC1CASP3SENP7

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
EP-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 EP disclosed
US-6933305-B2 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-08-23 US disclosed
US-20030158413-A1 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-08-21 US disclosed
EP-1270570-A1 AMIDE COMPOUNDS AND USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-01-02 EP 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-20030158413-A1 Amide compounds and use thereof ROCK2, ROCK1, RHOT2 SMN1; SMN2 3300/4885RAB9A 46/4885NPC1 1207/4885

“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.