SCHEMBL3767221

SCHEMBL3767221

CCc1sc(Br)nc1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
MAPT P10636 2/20 0.67
HSD17B10 Q99714 2/20 0.55
AR P10275 1/20 0.52
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
GLA P06280 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.46
ATP4A P20648 2/20 0.44
ATP4B P51164 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
CDC25B P30305 1/20 0.42
DUSP3 P51452 1/20 0.42
RORC P51449 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
SCHEMBL11466220 0.81 ALDH1A1 (0.67) ALDH1A1MAPTHSD17B10HPGDGLA
SCHEMBL13002963 0.81 ALDH1A1 (0.67) ALDH1A1MAPTHSD17B10ARHPGD
SCHEMBL2174125 0.80 ALDH1A1 (1.00) ALDH1A1MAPTHSD17B10ARHPGD
SCHEMBL9891492 0.77 ALDH1A1 (0.61) ALDH1A1MAPTHSD17B10ARHPGD
Hydrochloric Acid SCHEMBL6371660 0.77 ALDH1A1 (0.93) ALDH1A1MAPTHSD17B10ARHPGD
SCHEMBL15728787 0.77 ALDH1A1 (0.61) ALDH1A1MAPTHSD17B10ARHPGD
SCHEMBL2483879 0.76 ALDH1A1 (0.59) ALDH1A1MAPTHSD17B10ARHPGD
SCHEMBL15728783 0.75 ALDH1A1 (0.58) ALDH1A1MAPTHSD17B10ARHPGD
SCHEMBL3763258 0.75 MAOA (0.50) ALDH1A1MAPTHSD17B10AR
SCHEMBL3147980 0.74 ALDH1A1 (0.44) ALDH1A1MAPTHPGDGLAPTGDR2

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
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
CN-101103007-A Amide compound TAKEDA PHARMACEUTICAL (JP) 2008-01-09 CN disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 ALDH1A1 353/4885MAPT 3805/4885HSD17B10 853/4885

“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.