SCHEMBL5771902

SCHEMBL5771902

COc1cc(NC(=O)Cc2cccc(NC(=O)c3cn(C(C)(C)C)nc3-c3cc(F)ccc3Cl)c2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.48
HTT P42858 4/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 4/20 0.44
PDE7A Q13946 4/20 0.42
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
PDE4A P27815 1/20 0.39
AURKB Q96GD4 1/20 0.39
TOP1 P11387 1/20 0.39
ANO1 Q5XXA6 1/20 0.38
PTGS2 P35354 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL7499779 0.84 SMN1; SMN2 (0.47) SMN1; SMN2HTTMAPTKMT2AMEN1
SCHEMBL5771897 0.82 PDE7A (0.39) SMN1; SMN2MAPTKMT2AMEN1LMNA
SCHEMBL5773731 0.81 PTGS2 (0.51) SMN1; SMN2HTTMAPTKMT2AMEN1
SCHEMBL5770740 0.78 SMN1; SMN2 (0.48) SMN1; SMN2HTTMAPTKMT2AMEN1
SCHEMBL6697312 0.76 FYN (0.38) SMN1; SMN2MAPTLMNAPDE7A
SCHEMBL6692601 0.74 SMN1; SMN2 (0.49) SMN1; SMN2HTTMAPTKMT2AMEN1
SCHEMBL5778314 0.71 MAPT (0.59) SMN1; SMN2HTTMAPTLMNAABCB1
SCHEMBL6696054 0.71 PTGS2 (0.45) SMN1; SMN2HTTMAPTKMT2AMEN1
SCHEMBL7220141 0.69 SMN1; SMN2 (0.51) SMN1; SMN2HTTMAPTKMT2AMEN1
SCHEMBL5774427 0.68 POLB (0.47) SMN1; SMN2HTTMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224189-B1 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 LILLY CO ELI (US) 2006-01-25 EP disclosed
US-20040077675-A1 Compounds and methods for inhibiting MRP1 BONJOUKLIAN ROSANNE (US) 2004-04-22 US disclosed
US-6670373-B1 Inhibiting resistant neoplasms where the resistance is conferred by multidrug resistance protein; N-3,4,5-trimethoxyphenyl-3-(3-azidomethyl-isoxazolo(4,5-c) -1,2-dihydro-6-chloro-quinolin-2-on-1-yl)phenylacetamide ELI LILLY AND COMPANY 2003-12-30 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 SMN1; SMN2 4456/4885HTT 3901/4885MAPT 4342/4885

“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.