SCHEMBL5459843

SCHEMBL5459843

COc1ccccc1NC(=O)Nc1ccc(N2CCNCC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.55
NPC1 O15118 5/20 0.55
MAPT P10636 4/20 0.55
AHR P35869 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.53
EGFR P00533 1/20 0.53
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.52
USP2 O75604 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PABPC1 P11940 1/20 0.51
P2RY1 P47900 1/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA4 P22748 2/20 0.50
CA7 P43166 2/20 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
SCHEMBL5466937 0.89 KMT2A (0.60) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5452137 0.88 MEN1 (0.55) RAB9AMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL5467414 0.88 CLK2 (0.51) MAPTEGFRALDH1A1MEN1KMT2A
SCHEMBL5465645 0.87 CNR1 (0.52) RAB9ANPC1MAPTKDM4EMEN1
SCHEMBL5467493 0.86 ALDH1A1 (0.59) RAB9ANPC1MAPTAHRSMN1; SMN2
SCHEMBL5451242 0.84 NPC1 (0.53) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL5460083 0.84 RAB9A (0.77) RAB9ANPC1MAPTAHRSMN1; SMN2
SCHEMBL5471069 0.82 ALDH1A1 (0.54) RAB9ANPC1MAPTAHRSMN1; SMN2
SCHEMBL5458175 0.80 S1PR1 (0.58) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5464797 0.79 MEN1 (0.65) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1

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 1089/4885MAPT 758/4885

“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.