SCHEMBL20051409

SCHEMBL20051409

CC1Oc2ccc(CNC(N)=O)cc2O1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 7/20 0.42
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
MMP13 P45452 1/20 0.39
KMT2A Q03164 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL21565687 0.82 ERCC1 (0.56) SMN1; SMN2HPGDHSD17B10ALDH1A1MEN1
SCHEMBL8574152 0.80 CA2 (0.43) CYP2C9CYP2C19HPGDALDH1A1KDM4E
SCHEMBL22114100 0.77 APEX1 (0.61) CYP2C19HPGDALDH1A1TDP1KDM4E
SCHEMBL20051410 0.76 CYP2C9 (0.46) CYP2C9CYP2C19SMN1; SMN2HPGDHSD17B10
SCHEMBL7322125 0.75 SMN1; SMN2 (0.68) SMN1; SMN2HPGDHSD17B10ALDH1A1TDP1
SCHEMBL8572275 0.74 HDAC4 (0.37) CYP2C9CYP2C19HPGDALDH1A1GAA
SCHEMBL10274463 0.71 PTGS1 (0.41) CYP2C9CYP2C19SMN1; SMN2ALDH1A1MEN1
SCHEMBL11854767 0.70 CYP1A2 (0.36) CYP2C9CYP2C19
SCHEMBL9145627 0.70 PTGS2 (0.46) ALDH1A1TDP1GAAKDM4E
SCHEMBL8571428 0.70 TSHR (0.53) CYP2C9CYP2C19SMN1; SMN2HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11234914-B2 Monosubstituted urea derivatives as a self-tanning substance MERCK PATENT GMBH (DE) 2022-02-01 US disclosed
EP-3522993-B1 MONOSUBSTITUTED UREA DERIVATIVES AS A SELF-TANNING SUBSTANCE MERCK PATENT GMBH (DE) 2021-04-07 EP disclosed
US-20200038304-A1 MONOSUBSTITUTED UREA DERIVATIVES AS A SELF-TANNING SUBSTANCE MERCK PATENT GMBH (DE) 2020-02-06 US disclosed
WO-2018065358-A1 MONOSUBSTITUTED UREA DERIVATIVES AS A SELF-TANNING SUBSTANCE MERCK PATENT GMBH (DE) 2018-04-12 WO 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 (2 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-11234914-B2 Monosubstituted urea derivatives as a self-tanning substance SLC14A1, TYR, UROD CYP2C9 952/4885CYP2C19 456/4885SMN1; SMN2 4476/4885
US-20200038304-A1 MONOSUBSTITUTED UREA DERIVATIVES AS A SELF-TANNING SUBSTANCE SLC14A1, TYR, UROD CYP2C9 952/4885CYP2C19 456/4885SMN1; SMN2 4476/4885

“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.