SCHEMBL20051408

SCHEMBL20051408

NC(=O)NCc1ccc2c(c1)CCC2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.54
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 3/20 0.48
MAPK8 P45983 2/20 0.48
ALOX12 P18054 1/20 0.48
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
HTT P42858 2/20 0.45
ALDH1A1 P00352 6/20 0.45
MAPT P10636 5/20 0.45
TP53 P04637 1/20 0.45
RXRB P28702 1/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
RECQL P46063 1/20 0.42

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
SCHEMBL16250732 0.83 MAPK14 (0.54) MAPK14CYP2C19SMN1; SMN2HPGDALOX12
SCHEMBL20051406 0.82 CYP2C9 (0.49) MAPK14CYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL17198934 0.81 MAPK14 (0.46) MAPK14CYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL30496713 0.81 MAPK14 (0.46) MAPK14CYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL27393194 0.81 MAPK14 (0.52) MAPK14CYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL16882864 0.80 MAPK14 (0.73) MAPK14SMN1; SMN2NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL28487745 0.80 MAPK14 (0.45) MAPK14CYP2C9CYP2C19SMN1; SMN2HPGD
SCHEMBL9538852 0.79 PPID (0.55) CYP2C9CYP2C19HTTALDH1A1MAPT
SCHEMBL6348602 0.78 RXRB (0.50) CYP2C9CYP2C19SMN1; SMN2HPGDMAPK8
SCHEMBL27283625 0.78 ERCC1 (0.60) MAPK14CYP2C19SMN1; SMN2HPGDALOX12

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 MAPK14 1608/4885CYP2C9 952/4885CYP2C19 456/4885
US-20200038304-A1 MONOSUBSTITUTED UREA DERIVATIVES AS A SELF-TANNING SUBSTANCE SLC14A1, TYR, UROD MAPK14 1608/4885CYP2C9 952/4885CYP2C19 456/4885

“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.