SCHEMBL5457864

SCHEMBL5457864

CCOC(=O)C(O)c1ncccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
NLRP3 Q96P20 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.42
BRD4 O60885 1/20 0.42
LMNA P02545 2/20 0.41
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
KDM4E B2RXH2 2/20 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
SCHEMBL4924785 0.87 ALDH1A1 (0.49) CYP1A2CYP3A4CYP2D6MAPTMAPK1
SCHEMBL10651810 0.84 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6MAPTMAPK1
SCHEMBL27669113 0.82 MEN1 (0.46) CYP1A2CYP3A4CYP2D6MAPTMAPK1
SCHEMBL5456877 0.79 NPC1 (0.42) CYP1A2MAPK1CYP2C19SMN1; SMN2KMT2A
SCHEMBL13044544 0.79 KMT2A (0.44) CYP1A2CYP3A4CYP2D6MAPTMAPK1
SCHEMBL6076413 0.77 SMN1; SMN2 (0.64) CYP1A2CYP3A4SMN1; SMN2MEN1KMT2A
SCHEMBL20865742 0.76 CASP1 (0.46) MAPTMAPK1CYP2C19SMN1; SMN2MEN1
SCHEMBL896383 0.74 ALDH1A1 (0.50) CYP1A2CYP3A4CYP2D6MAPTMAPK1
SCHEMBL2305312 0.74 TSHR (0.48) CYP1A2CYP3A4CYP2D6MAPTMAPK1
SCHEMBL896714 0.74 ALDH1A1 (0.47) CYP1A2CYP3A4MAPK1CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 US disclosed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 EP 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-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 CYP1A2 2570/4885CYP3A4 3044/4885CYP2D6 1049/4885

“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.