SCHEMBL6691783

SCHEMBL6691783

COc1cc(N(C(=O)c2c(C)noc2-c2cc(F)ccc2Cl)c2cccc(NC(C)=O)c2)cc(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
BRAF P15056 4/20 0.37
FYN P06241 1/20 0.36
MAPT P10636 6/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 2/20 0.35
POLB P06746 2/20 0.35
GFER P55789 1/20 0.35
GPBAR1 Q8TDU6 2/20 0.35
TP53 P04637 1/20 0.35
SMO Q99835 1/20 0.34

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
SCHEMBL5770736 0.89 PTGS2 (0.44) PTGS2MEN1KMT2AMAPTALDH1A1
SCHEMBL5778310 0.80 POLB (0.51) PTGS2BRAFMAPTALDH1A1SMN1; SMN2
SCHEMBL6697312 0.78 FYN (0.38) BRAFFYNMAPTALDH1A1SMN1; SMN2
SCHEMBL5774719 0.77 PTGS2 (0.48) PTGS2MEN1KMT2AMAPTALDH1A1
SCHEMBL5776886 0.77 PTGS2 (0.49) PTGS2MEN1KMT2ABRAFFYN
SCHEMBL5770740 0.75 SMN1; SMN2 (0.48) PTGS2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5777332 0.74 PTGS2 (0.42) PTGS2BRAFFYNMAPTALDH1A1
SCHEMBL5774936 0.74 PTGS2 (0.42) PTGS2BRAFFYNMAPTALDH1A1
SCHEMBL6692596 0.73 BRAF (0.40) MEN1KMT2ABRAFFYNMAPT
SCHEMBL7226348 0.73 PTGS2 (0.45) PTGS2MEN1KMT2ABRAFFYN

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-20040077675-A1 Compounds and methods for inhibiting MRP1 BONJOUKLIAN ROSANNE (US) 2004-04-22 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-20040077675-A1 Compounds and methods for inhibiting MRP1 ABCC1, ABCB1, ABCB11 PTGS2 1354/4885MEN1 1445/4885KMT2A 3995/4885

“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.