SCHEMBL5456044

SCHEMBL5456044

COc1ccccc1NC(=O)Nc1ccc(C2CCN(C(=O)Nc3ncccc3C#N)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.46
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
MAPT P10636 5/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 2/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
THRB P10828 1/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
AHR P35869 1/20 0.43
TP53 P04637 2/20 0.42
HTT P42858 1/20 0.42
SMO Q99835 1/20 0.42

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
SCHEMBL5451322 0.91 MAPT (0.46) RAB9AMAPTKDM4EALDH1A1MEN1
SCHEMBL5459980 0.88 GFER (0.62) GFERNPC1RAB9AMAPTHSD17B10
SCHEMBL5460036 0.87 PANK3 (0.41) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL5458381 0.82 NAMPT (0.48) GFERNPC1RAB9AMAPTHSD17B10
SCHEMBL5465563 0.82 MAPT (0.46) NPC1RAB9AMAPTHSD17B10KDM4E
SCHEMBL5460067 0.81 ALDH1A1 (0.49) GFERNPC1RAB9AMAPTHSD17B10
SCHEMBL5459401 0.80 HSD17B10 (0.49) NPC1RAB9AMAPTHSD17B10ALDH1A1
SCHEMBL5466982 0.80 MAPT (0.47) NPC1RAB9AMAPTHSD17B10KDM4E
SCHEMBL5460565 0.79 MAPT (0.49) GFERNPC1RAB9AMAPTKDM4E
SCHEMBL5467032 0.79 PANK3 (0.46) NPC1RAB9AMAPTHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 US 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 GFER 1367/4885NPC1 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.