SCHEMBL5999873

SCHEMBL5999873

Clc1cc(-c2ccc3c(c2)OCO3)nc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.67
DHODH Q02127 1/20 0.67
KDM4E B2RXH2 4/20 0.62
MAPT P10636 4/20 0.62
ALDH1A1 P00352 3/20 0.62
LMNA P02545 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
KMT2A Q03164 4/20 0.60
HSD17B10 Q99714 3/20 0.60
MEN1 O00255 3/20 0.60
GAA P10253 2/20 0.60
HPGD P15428 2/20 0.60
TSHR P16473 2/20 0.60
MAPK1 P28482 2/20 0.60

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
SCHEMBL31134142 1.00 TP53 (0.67) TP53DHODHKDM4EMAPTALDH1A1
SCHEMBL6534269 0.80 DYRK1A (0.52) TP53DHODHKDM4EMAPTALDH1A1
SCHEMBL3228525 0.80 TP53 (1.00) TP53DHODHKDM4EMAPTALDH1A1
Graveolinine SCHEMBL29411843 0.80 KDM4E (0.66) TP53DHODHKDM4EMAPTALDH1A1
Graveolinine SCHEMBL25286396 0.80 KDM4E (0.66) TP53DHODHKDM4EMAPTALDH1A1
SCHEMBL14095434 0.80 NPC1 (0.51) TP53DHODHKDM4EMAPTALDH1A1
SCHEMBL4768952 0.79 KDM4E (0.56) TP53DHODHKDM4EMAPTALDH1A1
SCHEMBL6534156 0.78 DYRK1A (0.44) TP53DHODHKDM4EMAPTALDH1A1
SCHEMBL6534274 0.77 MEN1 (0.53) DHODHMAPTKMT2AMEN1ADORA1
SCHEMBL30592743 0.77 DHODH (0.58) DHODHKDM4EMAPTALDH1A1LMNA

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-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods REDDY US THERAPEUTICS, INC. 2006-06-15 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-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods HPSE, ENGASE, UGCG TP53 886/4885DHODH 855/4885KDM4E 2893/4885

“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.