SCHEMBL5403168

SCHEMBL5403168

COC(=O)CCc1sc(Cl)nc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
MAPT P10636 5/20 0.58
GAA P10253 5/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
RPS6KB2 Q9UBS0 1/20 0.48
HPGD P15428 2/20 0.47
HTT P42858 1/20 0.45
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
TRPV4 Q9HBA0 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 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
SCHEMBL5397061 0.84 CYP1A2 (0.60) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL5405327 0.83 MAPT (0.67) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL5407606 0.79 ALDH1A1 (0.62) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL1362464 0.77 HTT (0.64) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL5402743 0.77 ALDH1A1 (0.51) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL5402803 0.76 KDM4E (0.43) ALDH1A1MAPTGAAMEN1KMT2A
Hydrochloric Acid SCHEMBL30509618 0.74 RXRA (0.71) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL11278098 0.73 LMNA (0.64) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL4081611 0.73 MAPT (0.59) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL13448810 0.72 RXRA (0.72) ALDH1A1GAAMEN1KMT2ALMNA

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-7241785-B2 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-10 US disclosed
US-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1394154-A1 FIVE-MEMBERED HETEROCYCLIC ALKANOIC ACID DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2004-03-03 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-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative SLC5A1, AHR, ALOX5 ALDH1A1 134/4885MAPT 4614/4885GAA 1352/4885

“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.