SCHEMBL20051406

SCHEMBL20051406

NC(=O)NCc1ccc2c(c1)COC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PDE7B Q9NP56 1/20 0.41
RECQL P46063 1/20 0.41
POLB P06746 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK14 Q16539 1/20 0.39
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
USP19 O94966 1/20 0.36
CHRM4 P08173 1/20 0.36
KCNJ1 P48048 1/20 0.35
KCNH2 Q12809 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TPSAB1 Q15661 2/20 0.35
HSP90AA1 P07900 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL12745077 0.84 KMT2A (0.47) PDE7BPOLBRAB9AMAPK14ALDH1A1
SCHEMBL20051408 0.82 MAPK14 (0.54) CYP2C9CYP2C19RECQLRAB9ANPC1
SCHEMBL3800131 0.78 CA2 (0.46) POLBRAB9ANPC1ALDH1A1KCNJ1
Hydrochloric Acid SCHEMBL29932050 0.76 PDE7B (0.35) PDE7BPOLBRAB9ANPC1MAPK14
SCHEMBL21690928 0.75 CYP2C19 (0.53) CYP2C9CYP2C19RECQLPOLBRAB9A
SCHEMBL20051405 0.75 RAB9A (0.66) CYP2C9CYP2C19POLBRAB9ANPC1
SCHEMBL21637775 0.75 POLB (0.47) PDE7BPOLBRAB9ANPC1ALDH1A1
SCHEMBL12337188 0.74 CHRM4 (0.42) CHRM4
SCHEMBL27404895 0.74 HTR2C (0.49) CYP2C9CYP2C19RAB9ANPC1ALDH1A1
SCHEMBL20563946 0.73 LMNA (0.40) RAB9ANPC1ALDH1A1SMN1; SMN2KCNJ1

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 456/4885PDE7B 1483/4885
US-20200038304-A1 MONOSUBSTITUTED UREA DERIVATIVES AS A SELF-TANNING SUBSTANCE SLC14A1, TYR, UROD CYP2C9 952/4885CYP2C19 456/4885PDE7B 1483/4885

“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.