SCHEMBL6877134

SCHEMBL6877134

COc1ccc(-c2nc(-c3cc(C(=O)O)c(C)n3CC3CCCCC3)cs2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
GAA P10253 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.41
ECE1 P42892 2/20 0.41
EIF4E P06730 3/20 0.40
GLA P06280 1/20 0.40
PDE4B Q07343 1/20 0.40
NOTUM Q6P988 1/20 0.40
MAP3K11 Q16584 1/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
CDC25A P30304 1/20 0.39

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
SCHEMBL5039301 0.90 CDC25A (0.49) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL6879620 0.87 NOTUM (0.44) ALDH1A1KDM4ERAB9ASMN1; SMN2EIF4E
SCHEMBL6881410 0.87 EIF4E (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL6879341 0.87 EIF4E (0.45) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL6881069 0.87 CYP1A1 (0.44) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL5044423 0.87 MAPT (0.44) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL6871896 0.87 NOTUM (0.43) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL6882755 0.86 CPT2 (0.47) EIF4ENOTUMCDC25ACDC25BCDC25C
SCHEMBL6872874 0.86 NOTUM (0.42) MAPTEIF4ENOTUM
SCHEMBL6879641 0.86 IDH1 (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A

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-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 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-20040147572-A1 Novel pyrrolyl-thiazole derivatives CNR1, CNR2, NPY1R ALDH1A1 959/4885GAA 4333/4885KDM4E 2916/4885

“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.