SCHEMBL5458367

SCHEMBL5458367

COc1ccccc1NC(=O)Nc1ccc2c(c1)CCN(C(=O)O)C2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.69
NPC1 O15118 7/20 0.69
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.54
THRB P10828 1/20 0.54
MAPT P10636 7/20 0.53
CASP3 P42574 2/20 0.53
SENP7 Q9BQF6 2/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 1/20 0.53
PKM P14618 1/20 0.53
POLB P06746 2/20 0.52
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50

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
SCHEMBL5460595 0.88 CASP3 (0.70) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL5460878 0.87 NPC1 (0.62) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL3402909 0.85 NPC1 (0.67) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL5452223 0.84 TMPRSS2 (0.55) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL3405294 0.84 RAB9A (0.63) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL3404203 0.84 THRB (0.49) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL8125490 0.84 RAB9A (0.73) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL5459990 0.84 NPC1 (0.67) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL1188060 0.82 NPC1 (0.54) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL1188057 0.82 NPC1 (0.54) RAB9ANPC1MEN1KMT2AKDM4E

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 RAB9A 1528/4885NPC1 1089/4885MEN1 1828/4885

“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.