SCHEMBL18552240

SCHEMBL18552240

Cc1cc(-c2cc(C)c3c(ccn3C)c2)cc(-c2nnc(SCC(=O)O)[nH]2)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
GRK6 P43250 4/20 0.36
TYMP P19971 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
XDH P47989 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NOTUM Q6P988 1/20 0.32
KMT2A Q03164 1/20 0.32
THRB P10828 2/20 0.32

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
SCHEMBL17213041 0.90 ALDH1A1 (0.34) ALDH1A1TDP1GRK6TYMPKDM4E
SCHEMBL17213154 0.89 GRK6 (0.39) ALDH1A1TDP1GRK6TYMPLMNA
SCHEMBL18552337 0.84 CTSA (0.38) ALDH1A1TDP1GRK6TYMPKDM4E
SCHEMBL18540480 0.82 MAPT (0.33) ALDH1A1GRK6LMNASMN1; SMN2KMT2A
SCHEMBL18552247 0.81 ALDH1A1 (0.43) ALDH1A1TDP1GRK6TYMPKDM4E
SCHEMBL18552252 0.79 GRK6 (0.37) ALDH1A1TDP1GRK6TYMPKDM4E
SCHEMBL17213070 0.79 GRK6 (0.52) ALDH1A1TDP1GRK6TYMPKDM4E
SCHEMBL18552348 0.78 MEN1 (0.39) ALDH1A1TDP1GRK6TYMPKDM4E
SCHEMBL18552365 0.78 DHODH (0.40) ALDH1A1TDP1GRK6TYMPKDM4E
SCHEMBL18552307 0.78 KDM4E (0.38) ALDH1A1TDP1GRK6TYMPKDM4E

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-20170050939-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE 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-20170050939-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES GRK6, GRK2, GRK3 ALDH1A1 4745/4885TDP1 3509/4885GRK6 1/4885

“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.