SCHEMBL7040635

SCHEMBL7040635

COC(=O)c1cc(Br)ccc1NC(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.61
GAA P10253 3/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 4/20 0.50
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 2/20 0.48
TSHR P16473 1/20 0.48
POLB P06746 1/20 0.47
RECQL P46063 1/20 0.47
AKR1C2 P52895 2/20 0.47
AKR1C1 Q04828 2/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.46
KMT2A Q03164 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL6350175 0.85 ACLY (0.79) ACLYMAPTTSHRAKR1C2AKR1C1
SCHEMBL31454340 0.83 MAPT (0.72) GAAALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL14075415 0.83 MAPT (0.72) GAAALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL7038564 0.82 ACLY (0.67) ACLYLMNASMN1; SMN2MAPTMAPK1
SCHEMBL418984 0.81 GRIK1 (0.64) GAAALDH1A1MAPTMAPK1KDM4E
SCHEMBL6349502 0.80 ALDH1A1 (0.51) GAAALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL27041414 0.80 ACLY (0.49) ACLYGAAALDH1A1LMNASMN1; SMN2
SCHEMBL14358727 0.79 GAA (0.53) GAAALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL5899451 0.78 ALDH1A1 (0.67) GAAALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL266398 0.78 AKR1C2 (0.54) GAAALDH1A1LMNASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073862-A1 Compounds BIOVITRUM AB (SE) 2003-04-17 US disclosed
WO-2003004458-A1 NEW COMPOUNDS BIOVITRUM AB (SE) 2003-01-16 WO 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-20030073862-A1 Compounds PPARG, PPARA, PPARD ACLY 451/4885GAA 1267/4885ALDH1A1 383/4885

“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.