SCHEMBL6520403

SCHEMBL6520403

NC(=O)c1cc(NC(=O)NC2CCCCC2)cc(Cl)c1O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.56
NPC1 O15118 9/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
EPHX2 P34913 5/20 0.56
TSHR P16473 2/20 0.56
HTT P42858 1/20 0.56
EPHX1 P07099 7/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TP53 P04637 2/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.50
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47

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
SCHEMBL4347065 0.88 RAB9A (0.66) RAB9ANPC1SMN1; SMN2EPHX2TSHR
SCHEMBL6568610 0.86 RAB9A (0.63) RAB9ANPC1SMN1; SMN2EPHX2TSHR
SCHEMBL4352945 0.84 RAB9A (0.59) RAB9ANPC1SMN1; SMN2EPHX2TSHR
SCHEMBL4357508 0.78 RAB9A (0.57) RAB9ANPC1SMN1; SMN2EPHX2TSHR
SCHEMBL4359761 0.76 RAB9A (0.73) RAB9ANPC1SMN1; SMN2EPHX2TSHR
SCHEMBL4349050 0.75 RAB9A (0.54) RAB9ANPC1SMN1; SMN2EPHX2TSHR
SCHEMBL2749916 0.74 RAB9A (0.70) RAB9ANPC1SMN1; SMN2EPHX2TSHR
SCHEMBL10558257 0.74 EPHX1 (0.63) RAB9ANPC1SMN1; SMN2EPHX2TSHR
SCHEMBL2753185 0.74 RAB9A (0.74) RAB9ANPC1SMN1; SMN2EPHX2TSHR
SCHEMBL4345564 0.74 RAB9A (0.63) RAB9ANPC1SMN1; SMN2EPHX2TSHR

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-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF JERINI AG (DE) 2011-03-17 US claimed

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-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF NR1I3, NR1D1, NR1D2 RAB9A 4228/4885NPC1 815/4885SMN1; SMN2 1791/4885

“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.