SCHEMBL18539889

SCHEMBL18539889

CCOc1ccc(-c2ccc(-c3nnc(SCC(C)=O)[nH]3)o2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.38
MAPT P10636 8/20 0.36
TP53 P04637 5/20 0.36
POLB P06746 1/20 0.36
ERN1 O75460 1/20 0.35
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PDE5A O76074 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL18539888 0.93 CSNK2A1 (0.36) MAPTTP53POLBUSP2ALDH1A1
SCHEMBL17214795 0.92 KMT2A (0.36) RORCMAPTTP53POLBERN1
SCHEMBL18539899 0.87 MEN1 (0.40) MAPTTP53POLBALDH1A1LMNA
SCHEMBL18539855 0.85 KDM4E (0.46) MAPTPOLBALDH1A1LMNAGAA
SCHEMBL17214861 0.85 CSNK2A1 (0.36) ALDH1A1CYP1A2CYP2C19SMN1; SMN2S1PR1
SCHEMBL18539852 0.84 RPA1 (0.46) MAPTTP53POLBALDH1A1LMNA
SCHEMBL18539848 0.83 KDM4E (0.36) MAPTTP53POLBALDH1A1LMNA
SCHEMBL18539850 0.82 MAPT (0.43) MAPTTP53ALDH1A1GAANPC1
SCHEMBL18539913 0.82 ALDH1A1 (0.40) MAPTTP53POLBALDH1A1LMNA
SCHEMBL18539829 0.80 CD274 (0.36) MAPTTP53POLBALDH1A1HDAC6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9902739-B2 Small molecule inhibitors of G protein coupled receptor 6 kinases polypeptides MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2018-02-27 US disclosed
US-20170050979-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-02-23 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-20170050979-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES GRK6, GRK2, GRK3 RORC 1434/4885MAPT 4029/4885TP53 3439/4885

“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.