SCHEMBL4851672

SCHEMBL4851672

CCOC(=O)C1CCN(c2nc(COc3ccc(C=O)cc3OC)c(C)s2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 2/20 0.47
TP53 P04637 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.42
LGMN Q99538 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL4845618 0.87 ALDH1A1 (0.51) MAPK1ALDH1A1SMN1; SMN2TSHRTP53
SCHEMBL4852283 0.86 ALDH1A1 (0.50) MAPK1ALDH1A1SMN1; SMN2TSHRTP53
SCHEMBL4847887 0.84 KDM4E (0.49) ALDH1A1SMN1; SMN2TSHRTP53MAPT
SCHEMBL4852246 0.82 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2TSHRGAAMAPT
SCHEMBL4846394 0.80 ALDH1A1 (0.40) MAPK1ALDH1A1SMN1; SMN2TSHRTP53
SCHEMBL4843824 0.73 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2TSHRTP53GAA
SCHEMBL4846330 0.71 ALDH1A1 (0.56) MAPK1ALDH1A1SMN1; SMN2TSHRTP53
SCHEMBL14697250 0.70 GUCY1B2 (0.47)
SCHEMBL4848311 0.69 ALDH1A1 (0.46) MAPK1ALDH1A1SMN1; SMN2TSHRTP53
SCHEMBL4845955 0.69 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2TSHRMAPTCYP2C9

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 MAPK1 1445/4885ALDH1A1 821/4885SMN1; SMN2 4339/4885

“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.