SCHEMBL4850608

SCHEMBL4850608

COc1cc(CO)ccc1OCc1nc(-c2cccnc2)oc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.53
NPC1 O15118 4/20 0.48
MAPT P10636 4/20 0.48
HSD17B10 Q99714 4/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPK1 P28482 3/20 0.47
HPGD P15428 2/20 0.47
RAB9A P51151 3/20 0.46
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.44
S1PR1 P21453 1/20 0.43
PPARG P37231 1/20 0.42
FFAR1 O14842 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
SMPD1 P17405 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PDE10A Q9Y233 1/20 0.42

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
SCHEMBL4038141 0.89 KDR (0.67) KDRNPC1MAPTHSD17B10ALDH1A1
SCHEMBL4034982 0.84 KDR (0.67) KDRMAPTKDM4EPOLBSMN1; SMN2
SCHEMBL4851743 0.83 ALDH1A1 (0.49) NPC1MAPTHSD17B10ALDH1A1KDM4E
SCHEMBL4853058 0.83 KDR (0.53) KDRNPC1MAPTRAB9APOLB
SCHEMBL4850665 0.82 KDR (0.53) KDRNPC1MAPTHPGDRAB9A
SCHEMBL4845464 0.81 KDR (0.57) KDRMAPTHSD17B10ALDH1A1KDM4E
SCHEMBL4845929 0.81 KDR (0.52) KDRMAPTHSD17B10ALDH1A1KDM4E
SCHEMBL4850575 0.80 KDR (0.52) KDRNPC1MAPTALDH1A1MAPK1
SCHEMBL4846802 0.80 KDR (0.53) KDRMAPTKDM4EPOLBSMN1; SMN2
SCHEMBL4035637 0.80 PPARG (0.62) KDRNPC1MAPTHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 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 (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-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 KDR 2335/4885NPC1 822/4885MAPT 4700/4885

“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.