SCHEMBL717478

SCHEMBL717478

CC(=O)Nc1ccc2oc(C(Nc3ccc(C(=O)N(C)CCC(=O)O)cc3)C3CCCCC3)c(C)c2c1.Cc1c(C(=O)C2CCCCC2)oc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.35
TP53 P04637 3/20 0.35
F11 P03951 1/20 0.34
HIF1A Q16665 2/20 0.33
PGR P06401 2/20 0.33
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 2/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL717558 0.88 MAPT (0.37) MAPTTP53F11ALDH1A1KDM4E
SCHEMBL716525 0.82 HIF1A (0.38) MAPTHIF1APGRALDH1A1KMT2A
SCHEMBL718671 0.81 MAOB (0.38) MAPTTP53
SCHEMBL720892 0.81 F11 (0.33) MAPTTP53F11ALDH1A1KMT2A
SCHEMBL719556 0.80 MAPT (0.35) MAPTTP53KMT2AKDM4EMEN1
SCHEMBL717983 0.80 NPC1 (0.39) MAPTTP53ALDH1A1KMT2AKDM4E
SCHEMBL720639 0.80 TEAD4 (0.37) MAPTTP53ALDH1A1KMT2APOLB
SCHEMBL719158 0.80 NPC1 (0.38) MAPTTP53ALDH1A1KMT2AKDM4E
SCHEMBL3399539 0.79 MAPT (0.34) MAPTTP53F11
SCHEMBL716541 0.79 RAB9A (0.42) MAPTALDH1A1KDM4EHPGDHSD17B10

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-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MAPT 4533/4885TP53 293/4885F11 2797/4885

“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.