SCHEMBL4600280

SCHEMBL4600280

COc1ccc(-c2ccccc2SC)cc1C=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 13/20 0.48
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
AR P10275 1/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CTSG P08311 1/20 0.41
KLK7 P49862 1/20 0.41
CTRC Q99895 1/20 0.41
KLK14 Q9P0G3 1/20 0.41
KLK5 Q9Y337 1/20 0.41
ABCB1 P08183 1/20 0.40

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
SCHEMBL4846931 0.81 HTR7 (0.46) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7936530 0.81 ERN1 (0.51) ERN1ALDH1A1MAPTKDM4EMEN1
SCHEMBL14499379 0.79 ALDH1A1 (0.50) ALDH1A1MAPTARKDM4EMEN1
SCHEMBL4600135 0.77 ALDH1A1 (0.62) ERN1ALDH1A1MAPTKDM4EMEN1
SCHEMBL15679310 0.77 ERN1 (0.47) ERN1ALDH1A1MAPTKDM4ETDP1
SCHEMBL6101095 0.76 ERN1 (0.47) ERN1ALDH1A1MAPTARTSHR
SCHEMBL14524873 0.76 DRD1 (0.38) ERN1ALDH1A1MAPTKDM4EMEN1
SCHEMBL4598411 0.76 PTGS2 (0.48) ERN1ALDH1A1MAPTKDM4EMEN1
SCHEMBL4600059 0.76 PGR (0.50) ERN1ALDH1A1MAPTARTSHR
SCHEMBL6781839 0.75 ERN1 (0.46) ERN1ALDH1A1MAPTKDM4EMEN1

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
EP-1910292-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
US-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
US-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
WO-2007015588-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-08 WO 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-20070149570-A1 Piperidine derivative and use thereof TACR1, OPRL1, TRPV1 ERN1 4124/4885ALDH1A1 915/4885MAPT 4514/4885

“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.