SCHEMBL767308

SCHEMBL767308

CC(C)C(=O)Nc1nc(Oc2cc(Cl)ccc2Cl)c2nc[nH]c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
ADORA1 P30542 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 2/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
HSP90AA1 P07900 1/20 0.36
GPBAR1 Q8TDU6 3/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CASP3 P42574 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
SCHEMBL767309 0.85 STAT3 (0.39) LMNAADORA1TSHRMAPK1GPBAR1
SCHEMBL21050252 0.76 PRKD3 (0.42) LMNAADORA1ALDH1A1CDK5CDK5R1
SCHEMBL5483576 0.76 ADORA1 (0.40) LMNAADORA1ALDH1A1CDK5CDK5R1
SCHEMBL29665061 0.76 ADORA1 (0.40) LMNAADORA1ALDH1A1CDK5CDK5R1
SCHEMBL29661338 0.73 ADORA1 (0.43) LMNAADORA1MEN1KMT2AALDH1A1
SCHEMBL4777464 0.72 ADORA1 (0.41) LMNAADORA1ALDH1A1CDK5CDK5R1
SCHEMBL30590049 0.72 ADORA1 (0.41) LMNAADORA1ALDH1A1CDK5CDK5R1
SCHEMBL20208722 0.71 ADORA1 (0.37) LMNAADORA1ALDH1A1CDK5CDK5R1
SCHEMBL29552357 0.71 ADORA1 (0.41) LMNAADORA1MEN1KMT2AALDH1A1
SCHEMBL20394079 0.71 ADORA1 (0.41) LMNAADORA1MEN1KMT2AALDH1A1

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-20120071640-A1 Sulfurizing reagents and their use for oligonucleotides synthesis GIRINDUS AMERICA, INC. (US) 2012-03-22 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-20120071640-A1 Sulfurizing reagents and their use for oligonucleotides synthesis RRM1, SRRT, NSUN2 LMNA 2016/4885ADORA1 573/4885MEN1 4645/4885

“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.