SCHEMBL5455666

SCHEMBL5455666

COc1cc(NC(=O)Nc2ccc3c(c2)CCNC3)cc(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MELK Q14680 2/20 0.58
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
POLB P06746 1/20 0.57
CASP3 P42574 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
CLK2 P49760 1/20 0.52
CLK3 P49761 1/20 0.52
DYRK1A Q13627 1/20 0.52
F2 P00734 1/20 0.51
PLG P00747 1/20 0.51
PLAU P00749 1/20 0.51
PLAT P00750 1/20 0.51
KLKB1 P03952 1/20 0.51
PRSS1 P07477 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ITGB3 P05106 3/20 0.48
ITGA2B P08514 3/20 0.48
ROCK2 O75116 1/20 0.48

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
Hydrochloric Acid SCHEMBL1188301 0.91 MELK (0.53) MELKNPC1RAB9APOLBCASP3
Hydrochloric Acid SCHEMBL1188011 0.90 NPC1 (0.68) MELKNPC1RAB9APOLBCASP3
Hydrochloric Acid SCHEMBL1187336 0.89 NPC1 (0.70) MELKNPC1RAB9APOLBCASP3
SCHEMBL5467483 0.83 RAB9A (0.73) NPC1RAB9APOLBCASP3SENP7
Hydrochloric Acid SCHEMBL1188841 0.82 RAB9A (0.71) NPC1RAB9APOLBCASP3SENP7
Hydrochloric Acid SCHEMBL1188479 0.82 MEN1 (0.56) MELKNPC1RAB9APOLBCASP3
SCHEMBL3003689 0.81 F2 (0.54) MELKCLK2CLK3DYRK1AF2
Hydrochloric Acid SCHEMBL1187815 0.81 ROCK2 (0.49) MELKNPC1RAB9APOLBCASP3
Hydrochloric Acid SCHEMBL1188393 0.81 NPC1 (0.66) MELKNPC1RAB9APOLBCASP3
SCHEMBL5458163 0.80 POLB (0.58) MELKNPC1RAB9APOLBCASP3

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 MELK 3866/4885NPC1 1089/4885RAB9A 1528/4885

“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.