SCHEMBL17906363

SCHEMBL17906363

COC(=O)c1ccc(NC(=O)Oc2ccc(C)cc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
MAPK1 P28482 2/20 0.48
RAB9A P51151 3/20 0.47
TP53 P04637 2/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 4/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DEGS1 O15121 2/20 0.45
PORCN Q9H237 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.44
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43

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
SCHEMBL16054859 0.88 ALDH1A1 (0.56) MAPK1RAB9ATSHRSMN1; SMN2MAPT
SCHEMBL17831407 0.84 KMT2A (0.51) RAB9ASMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL20379429 0.78 MAPT (0.54) RAB9ASMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL5788823 0.77 RAB9A (0.58) RAB9ATP53NFKB1NFKB2RELA
SCHEMBL1854705 0.76 MAPK1 (0.59) TDP1MAPK1RAB9ASMN1; SMN2KDM4E
SCHEMBL4563194 0.76 MAPK1 (0.51) MAPK1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL2772417 0.76 MAPK1 (0.51) MAPK1KDM4EALDH1A1L3MBTL1DEGS1
SCHEMBL6100318 0.75 RAB9A (0.65) MAPK1RAB9ANFKB1NFKB2RELA
SCHEMBL17368462 0.74 RAB9A (0.53) TDP1MAPK1RAB9ATP53TSHR
SCHEMBL2806502 0.74 KDM4E (0.59) TDP1MAPK1SMN1; SMN2MAPTKDM4E

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-20160194290-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF SHIONOGI & CO., LTD. (JP) 2016-07-07 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-20160194290-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI TDP1 3959/4885MAPK1 364/4885RAB9A 1525/4885

“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.