SCHEMBL718900

SCHEMBL718900

COc1ccccc1-n1cc(C(O)C2CCCCC2)c(C)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
TACR3 P29371 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC18A3 Q16572 1/20 0.35
IDO1 P14902 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL717720 0.84 HPGD (0.39) ALDH1A1LMNATACR3HPGDHTT
SCHEMBL716068 0.83 IDO1 (0.41) HTTNPSR1MEN1KMT2AIDO1
SCHEMBL720433 0.80 P2RX7 (0.41) ALDH1A1LMNAHPGDHTTNPSR1
SCHEMBL720503 0.79 IDO1 (0.42) ALDH1A1HPGDHTTNPSR1MEN1
SCHEMBL717876 0.79 IDO1 (0.38) ALDH1A1LMNAHPGDNPSR1MEN1
SCHEMBL717877 0.78 BCHE (0.42) ALDH1A1LMNAHTTSMN1; SMN2L3MBTL1
SCHEMBL717249 0.77 HDAC9 (0.36) KMT2AIDO1
SCHEMBL716678 0.73 IDO1 (0.40) IDO1
SCHEMBL720156 0.73 IDO1 (0.38) KMT2AIDO1
SCHEMBL718429 0.72 PKM (0.41) HTTMEN1KMT2AIDO1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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 (2 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 ALDH1A1 504/4885LMNA 3028/4885TACR3 2590/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP ALDH1A1 504/4885LMNA 3028/4885TACR3 2590/4885

“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.