SCHEMBL4850882

SCHEMBL4850882

COc1cc(CO)ccc1OCc1csc(N2CCOCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ERBB2 P04626 2/20 0.53
EPHA2 P29317 2/20 0.53
F2RL3 Q96RI0 6/20 0.48
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
AR P10275 2/20 0.46
KDM4E B2RXH2 1/20 0.46
F2 P00734 1/20 0.45
POLB P06746 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALOX15 P16050 1/20 0.43
THRB P10828 1/20 0.42
KDR P35968 1/20 0.42
EPHB4 P54760 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
SCHEMBL4851683 0.90 POLB (0.46) NPC1RAB9AMAPTSMN1; SMN2ERBB2
SCHEMBL4848215 0.83 ALDH1A1 (0.53) NPC1RAB9AMAPTSMN1; SMN2ERBB2
SCHEMBL4855047 0.81 F2RL3 (0.48) NPC1RAB9AMAPTSMN1; SMN2F2RL3
SCHEMBL4850224 0.76 ERBB2 (0.42) NPC1RAB9AMAPTSMN1; SMN2ERBB2
SCHEMBL7187027 0.73 MAPT (0.56) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL4852273 0.72 KDM4E (0.50) NPC1RAB9AMAPTSMN1; SMN2ERBB2
SCHEMBL12993127 0.71 RAB9A (0.50) RAB9AMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL4848311 0.70 ALDH1A1 (0.46) NPC1RAB9AMAPTSMN1; SMN2F2RL3
SCHEMBL11071574 0.70 ERBB2 (0.47) NPC1RAB9AMAPTSMN1; SMN2ERBB2
SCHEMBL908844 0.70 EPHA2 (1.00) ERBB2EPHA2KDREPHB4

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 NPC1 822/4885RAB9A 1036/4885MAPT 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.