SCHEMBL4459979

SCHEMBL4459979

C=Cc1ncccc1C(O)c1c(Cl)ccnc1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 3/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TP53 P04637 2/20 0.31
HSP90AA1 P07900 2/20 0.31
CYP3A4 P08684 2/20 0.31
MAPT P10636 2/20 0.31
ALOX15 P16050 2/20 0.31
ALOX12 P18054 2/20 0.31
SLC6A2 P23975 2/20 0.31
OPRK1 P41145 2/20 0.31
MMP14 P50281 2/20 0.31
KMT2A Q03164 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
USP2 O75604 1/20 0.31
APP P05067 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL4317038 0.74 KCNA5 (0.34) KCNA5
SCHEMBL4182232 0.71 LMNA (0.44) SMN1; SMN2LMNAHTTKDM4EMEN1
SCHEMBL29757436 0.71 GABRA1 (0.33) SMN1; SMN2LMNAHTTKDM4ETP53
SCHEMBL20818183 0.71 GABRA1 (0.33) SMN1; SMN2LMNAHTTKDM4ETP53
SCHEMBL23363406 0.71 GABRA1 (0.33) SMN1; SMN2LMNAHTTKDM4ETP53
SCHEMBL5974760 0.69
SCHEMBL950804 0.69 SMN1; SMN2 (0.45) SMN1; SMN2LMNAHTTKDM4EALDH1A1
SCHEMBL12371007 0.69 GABRA1 (0.39) SMN1; SMN2LMNAHTTKDM4ETP53
SCHEMBL20818418 0.68 BTK (0.32) CYP3A4SLC6A2HIF1ACYP2C19
SCHEMBL20831318 0.67 LMNA (0.37) SMN1; SMN2LMNAHTTKDM4ETP53

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-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 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-20090291941-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, RET SMN1; SMN2 4077/4885LMNA 3170/4885HTT 2971/4885

“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.