SCHEMBL5779012

SCHEMBL5779012

CCOC(=O)c1c(-c2cc(I)ccc2F)noc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
MAPT P10636 5/20 0.43
HPGD P15428 5/20 0.43
TP53 P04637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
GPBAR1 Q8TDU6 2/20 0.43
TSHR P16473 3/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
ALOX15 P16050 1/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL5796651 0.91 NPC1 (0.45) NPC1MAPTHPGDTP53ALDH1A1
SCHEMBL2922653 0.88 NPC1 (0.49) NPC1MAPTHPGDTP53ALDH1A1
SCHEMBL5775821 0.84 KMT2A (0.46) MAPTTP53POLBGPBAR1TSHR
SCHEMBL1930932 0.83 NPC1 (0.48) NPC1MAPTHPGDTP53ALDH1A1
SCHEMBL2924198 0.83 GPBAR1 (0.58) NPC1MAPTHPGDTP53ALDH1A1
SCHEMBL2924001 0.81 MAPT (0.51) NPC1MAPTHPGDTP53ALDH1A1
SCHEMBL2930347 0.81 MAPT (0.53) NPC1MAPTHPGDTP53ALDH1A1
SCHEMBL2930268 0.81 L3MBTL1 (0.51) NPC1MAPTHPGDTP53ALDH1A1
SCHEMBL15897845 0.80 NPC1 (0.43) NPC1MAPTHPGDTP53ALDH1A1
SCHEMBL535772 0.79 NPC1 (0.53) NPC1MAPTHPGDTP53ALDH1A1

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 NPC1 17/4885MAPT 4342/4885HPGD 513/4885

“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.