SCHEMBL4891498

SCHEMBL4891498

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nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.45
CYP2C19 P33261 3/20 0.45
HIF1A Q16665 1/20 0.45
PHGDH O43175 1/20 0.35
ALDH1A1 P00352 2/20 0.33
FFAR1 O14842 1/20 0.32
TSHR P16473 1/20 0.30
HSD17B10 Q99714 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
LDHA P00338 1/20 0.30
SRR Q9GZT4 1/20 0.30
GMNN O75496 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
CYP2C9 P11712 1/20 0.30
BLM P54132 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL11578282 0.78
Hydrochloric Acid SCHEMBL5354463 0.76 CYP2D6 (0.39) CYP2D6CYP2C19HIF1APHGDHALDH1A1
SCHEMBL16796104 0.75 CYP2D6 (0.50) CYP2D6CYP2C19HIF1APHGDHALDH1A1
SCHEMBL28573004 0.74 EGLN1 (0.46) CYP2D6CYP2C19HIF1AALDH1A1TSHR
SCHEMBL23829825 0.73
SCHEMBL9774458 0.71
SCHEMBL12761998 0.69
SCHEMBL6502709 0.65 CYP2D6 (0.39) CYP2D6CYP2C19HIF1APHGDHALDH1A1
SCHEMBL8440424 0.65
SCHEMBL3905496 0.64

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-20080261980-A1 Use of Thiazolidinone Derivatives as Antiangiogenic Agents CELL THERAPEUTICS, INC. (US) 2008-10-23 US disclosed
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 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 (2 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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 CYP2D6 4216/4885CYP2C19 2297/4885HIF1A 176/4885
US-20080261980-A1 Use of Thiazolidinone Derivatives as Antiangiogenic Agents EP300, HIF1A, HIF1AN CYP2D6 2000/4885CYP2C19 2012/4885HIF1A 2/4885

“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.