SCHEMBL720040

SCHEMBL720040

CCOc1cccc(-n2cc(C(O)C3CCCCC3)c(CC)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
OPRM1 P35372 1/20 0.36
CACNA2D1 P54289 1/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
DGAT1 O75907 1/20 0.36
TSHR P16473 1/20 0.36
KEAP1 Q14145 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
SCHEMBL719184 0.93 PDE4A (0.43) NOTUMSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL719334 0.84 BCHE (0.40) NOTUMRAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL721464 0.82 KDM4E (0.42) RAB9ASMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL719351 0.80 NOTUM (0.47) NOTUMRAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL14905676 0.80 IDO1 (0.36) ALDH1A1KDM4EHTT
SCHEMBL720050 0.79 RCE1 (0.46) NOTUMHPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL717837 0.79 RAB9A (0.39) RAB9ASMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL717381 0.78 RAB9A (0.42) NOTUMHPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL717877 0.78 BCHE (0.42) NOTUMRAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL717911 0.77 PDE2A (0.39) NOTUMTDP1

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 NOTUM 1954/4885HPGD 486/4885RAB9A 2454/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP NOTUM 1954/4885HPGD 486/4885RAB9A 2454/4885

“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.