SCHEMBL4845955

SCHEMBL4845955

COc1cc(C=O)ccc1OCc1nc(-c2ccccc2)sc1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.51
MAPT P10636 6/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
FDPS P14324 1/20 0.49
TTR P02766 1/20 0.46
CYP2C9 P11712 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 1/20 0.45
HPGD P15428 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HSP90AA1 P07900 1/20 0.43

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
SCHEMBL4854113 0.85 PPARD (0.53) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4847898 0.82 NPC1 (0.48) NPC1RAB9AMEN1KMT2A
SCHEMBL1733090 0.82 TTR (0.48) SMN1; SMN2HTTMEN1KMT2ATTR
SCHEMBL4038452 0.82 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2RAB9AMEN1
SCHEMBL4035340 0.80 KDM4E (0.41) ALDH1A1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL6972867 0.79 ALDH1A1 (0.64) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6157314 0.78 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4848592 0.77 F2RL3 (0.42) ALDH1A1MAPTSMN1; SMN2HTTMEN1
SCHEMBL161066 0.77 ALDH1A1 (0.73) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4847887 0.76 KDM4E (0.49) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A

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 ALDH1A1 821/4885MAPT 4700/4885SMN1; 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.