SCHEMBL718897

SCHEMBL718897

Cc1c(C(NC2=CC=C(C(=O)O)N(C)C2)C(C)C)oc2ccc(OCc3ccccc3)cc12.Cc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)nc2)C(C)C)oc2ccc(OCc3ccccc3)cc12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.35
LTB4R Q15722 5/20 0.34
LTB4R2 Q9NPC1 5/20 0.34
GHSR Q92847 2/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ROCK1 Q13464 1/20 0.32
PKM P14618 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL3399846 0.90 CASP3 (0.41) ABCG2LTB4RLTB4R2CASP3SENP8
SCHEMBL717422 0.86 DGAT1 (0.33) L3MBTL1
SCHEMBL720091 0.84 GABRA1 (0.39) ABCG2LTB4RLTB4R2CASP3SENP8
SCHEMBL718396 0.80 DGAT1 (0.37) NPC1RAB9AMCHR1
SCHEMBL720636 0.80 CASP3 (0.44) ABCG2LTB4RLTB4R2CASP3SENP8
SCHEMBL718731 0.78 CASP3 (0.46) CASP3SENP8SENP7SENP6NPC1
SCHEMBL719544 0.76 CASP3 (0.40) LTB4RLTB4R2CASP3SENP8SENP7
SCHEMBL719948 0.74 CASP3 (0.41) ABCG2LTB4RLTB4R2CASP3SENP8
SCHEMBL718680 0.74 KDM4E (0.34) NPC1RAB9ATDP1L3MBTL1
SCHEMBL717066 0.74 CASP3 (0.45) ABCG2LTB4RLTB4R2CASP3SENP8

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 ABCG2 893/4885LTB4R 1698/4885LTB4R2 1563/4885

“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.