SCHEMBL9944243

SCHEMBL9944243

CC(=O)c1ccc(NC(=O)c2cc(OC(C)C)c(Br)c(OC(C)C)c2)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD11B1 P28845 1/20 0.46
RORC P51449 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 3/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ABCB1 P08183 1/20 0.43
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
SNCA P37840 1/20 0.41
ABCC1 P33527 1/20 0.40

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
SCHEMBL1458629 0.91 PKM (0.58) TOP1PKMKMT2AHSD11B1SMN1; SMN2
SCHEMBL9944244 0.88 RAB9A (0.47) TOP1PKMKMT2ARORCSMN1; SMN2
SCHEMBL9944242 0.86 KCNQ3 (0.45) TOP1KMT2ARORCSMN1; SMN2MAPT
SCHEMBL9944247 0.84 RAB9A (0.55) TOP1PKMKMT2ARORCSMN1; SMN2
SCHEMBL9944226 0.83 RORC (0.49) TOP1PKMKMT2AHSD11B1RORC
SCHEMBL1459226 0.81 NR1H4 (0.46) PKMKMT2ASMN1; SMN2MAPTMAPK1
SCHEMBL1458287 0.81 RARA (0.50) PKMKMT2ASMN1; SMN2ABCB1ALDH1A1
SCHEMBL9944215 0.79 MEN1 (0.51) KMT2AHSD11B1RORCSMN1; SMN2MAPT
SCHEMBL1458140 0.79 POLB (0.52) TOP1PKMKMT2ASMN1; SMN2MAPT
SCHEMBL9944314 0.77 ABCB1 (0.48) TOP1KMT2ARORCSMN1; SMN2MAPT

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-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 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-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG TOP1 4574/4885PKM 4030/4885KMT2A 1418/4885

“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.