SCHEMBL6801830

SCHEMBL6801830

O=c1nc2n(c3ccccc13)CC(CS)S2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 3/20 0.42
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 1/20 0.39
SMARCA4 P51532 6/20 0.38
PBRM1 Q86U86 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
RCE1 Q9Y256 1/20 0.35
TSHR P16473 1/20 0.34
DHFR P00374 1/20 0.33
JAK3 P52333 1/20 0.31

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
SCHEMBL6801836 1.00 HPGD (0.42) HPGDKDM4EHSD17B10ALDH1A1MEN1
SCHEMBL6801833 1.00 HPGD (0.42) HPGDKDM4EHSD17B10ALDH1A1MEN1
SCHEMBL6801223 0.87 ALDH1A1 (0.40) HPGDKDM4EHSD17B10ALDH1A1MEN1
SCHEMBL6795854 0.87 ALDH1A1 (0.40) HPGDKDM4EHSD17B10ALDH1A1MEN1
SCHEMBL6796794 0.86 KDM4E (0.42) HPGDKDM4EHSD17B10ALDH1A1MEN1
SCHEMBL6796798 0.86 KDM4E (0.42) HPGDKDM4EHSD17B10ALDH1A1MEN1
SCHEMBL6796804 0.86 KDM4E (0.42) HPGDKDM4EHSD17B10ALDH1A1MEN1
SCHEMBL6701095 0.78 ALDH1A1 (0.49) HPGDKDM4EHSD17B10ALDH1A1MEN1
SCHEMBL6804689 0.78 ALDH1A1 (0.49) HPGDKDM4EHSD17B10ALDH1A1MEN1
SCHEMBL6804691 0.78 ALDH1A1 (0.49) HPGDKDM4EHSD17B10ALDH1A1MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044013-A1 1-dimercaptoalkylquinazolin-2,4(1h,3h)-diones as matrix metalloproteinase (mmp) inhibitors IBFB GMBH PRIVATES INSTITUT FUR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) 2004-03-04 US 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-20040044013-A1 1-dimercaptoalkylquinazolin-2,4(1h,3h)-diones as matrix metalloproteinase (mmp) inhibitors MMP2, MMP3, MMP1 HPGD 132/4885KDM4E 1675/4885HSD17B10 2378/4885

“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.