SCHEMBL5772816

SCHEMBL5772816

Cc1onc(-c2ccc(Br)cc2F)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
POLB P06746 2/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPBAR1 Q8TDU6 4/20 0.42
EPAS1 Q99814 1/20 0.42
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
MCOLN3 Q8TDD5 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
SCHEMBL5773540 0.86 MAPT (0.57) MAPTPOLBKMT2AMEN1GPBAR1
SCHEMBL16333191 0.86 KMT2A (0.50) MAPTPOLBKMT2AMEN1TDP1
SCHEMBL16333679 0.84 GPBAR1 (0.53) MAPTPOLBKMT2AGPBAR1TP53
SCHEMBL5771514 0.84 ALOX5 (0.53) MAPTPOLBSMN1; SMN2MAPK1TP53
SCHEMBL12691861 0.83 KMT2A (0.46) MAPTPOLBKMT2AMEN1TDP1
SCHEMBL15897841 0.82 HTT (0.44) MAPTPOLBKMT2AMEN1TDP1
SCHEMBL3826089 0.80 GPBAR1 (0.60) MAPTKMT2AMEN1GPBAR1EPAS1
SCHEMBL30395326 0.80 GPBAR1 (0.60) MAPTKMT2AMEN1GPBAR1EPAS1
SCHEMBL899594 0.79 TSHR (0.47) MAPTPOLBKMT2AMEN1TDP1
SCHEMBL1930136 0.79 GPBAR1 (0.44) MAPTPOLBKMT2AMEN1GPBAR1

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 5 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
EP-1224189-A2 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-07-24 EP disclosed
WO-2001027116-A2 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-04-19 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-20040077675-A1 Compounds and methods for inhibiting MRP1 ABCC1, ABCB1, ABCB11 MAPT 4342/4885POLB 979/4885KMT2A 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.