SCHEMBL722931

SCHEMBL722931

COc1cccc(-n2cc(C(Nc3ccc(C(=O)N(C)CCC(=O)O)cc3)C3CCCCC3)c(C(C)C)n2)c1.COc1cccc([N+]2(C)C=C(C(=O)O)C(C(C)C)=N2)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
GCG P01275 2/20 0.30
CTSS P25774 1/20 0.30
SLC6A9 P48067 1/20 0.30

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
SCHEMBL3403967 0.88 MEN1 (0.39) NTSR1MEN1ALDH1A1MAPK1KMT2A
SCHEMBL718170 0.88 GCG (0.33) NTSR1MEN1ALDH1A1MAPK1KMT2A
SCHEMBL718698 0.86 KMT2A (0.32) NTSR1MEN1ALDH1A1MAPK1KMT2A
SCHEMBL719036 0.82 GCG (0.32) GCG
SCHEMBL719861 0.82 SLC6A9 (0.41) MEN1ALDH1A1KMT2AGCGSLC6A9
SCHEMBL718452 0.82 MAPT (0.36) NTSR1MEN1ALDH1A1MAPK1KMT2A
SCHEMBL720529 0.81 GCG (0.35) NTSR1GCGSLC6A9
SCHEMBL719881 0.81 GCG (0.42) GCG
SCHEMBL718417 0.81 GCG (0.36) MEN1KMT2AGCG
SCHEMBL720391 0.81 GCG (0.40) NTSR1MEN1ALDH1A1MAPK1KMT2A

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 NTSR1 1241/4885MEN1 444/4885ALDH1A1 504/4885

“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.