SCHEMBL5773636

SCHEMBL5773636

COC(=O)c1c(-c2ccccc2F)noc1C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.57
EPAS1 Q99814 1/20 0.56
MAPT P10636 5/20 0.54
TP53 P04637 3/20 0.54
ALDH1A1 P00352 5/20 0.51
HPGD P15428 4/20 0.50
NPC1 O15118 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 2/20 0.48
RECQL P46063 1/20 0.48
LMNA P02545 1/20 0.48
PTBP1 P26599 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL2924198 0.86 GPBAR1 (0.58) GPBAR1EPAS1MAPTTP53ALDH1A1
SCHEMBL5775105 0.86 ALDH1A1 (0.59) MAPTTP53ALDH1A1HPGDTSHR
SCHEMBL27936741 0.85 GPBAR1 (0.62) GPBAR1EPAS1MAPTTP53ALDH1A1
SCHEMBL13735711 0.85 LMNA (0.64) GPBAR1EPAS1MAPTTP53ALDH1A1
SCHEMBL3826089 0.84 GPBAR1 (0.60) GPBAR1EPAS1MAPTTP53ALDH1A1
SCHEMBL2470614 0.84 GPBAR1 (0.60) GPBAR1EPAS1MAPTTP53ALDH1A1
SCHEMBL30395326 0.84 GPBAR1 (0.60) GPBAR1EPAS1MAPTTP53ALDH1A1
SCHEMBL6695232 0.84 MAPT (0.57) GPBAR1EPAS1MAPTTP53ALDH1A1
SCHEMBL13733697 0.83 HSD17B10 (0.71) GPBAR1MAPTTP53ALDH1A1HPGD
SCHEMBL11408570 0.83 EPAS1 (0.61) GPBAR1EPAS1MAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699566-B1 PHENYL-ISOXAZOL DERIVATIVES AND PREPARATION PROCESS THEREOF IL-YANG PHARM CO LTD (KR) 2017-02-22 EP disclosed
US-9132126-B2 Phenyl-isoxazole derivatives and preparation process thereof IL-YANG PHARM. CO., LTD. (KR) 2015-09-15 US disclosed
EP-2699566-A1 PHENYL-ISOXAZOL DERIVATIVES AND PREPARATION PROCESS THEREOF Il-Yang Pharm. Co., Ltd. (KR) 2014-02-26 EP disclosed
US-20140031364-A1 PHENYL-ISOXAZOL DERIVATIVES AND PREPARATION PROCESS THEREOF IL-YANG PHARM. CO., LTD. (KR) 2014-01-30 US disclosed
WO-2012144752-A1 PHENYL-ISOXAZOL DERIVATIVES AND PREPARATION PROCESS THEREOF IL-YANG PHARM. CO., LTD. (KR) 2012-10-26 WO disclosed
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 (2 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 GPBAR1 176/4885EPAS1 2776/4885MAPT 4342/4885
US-20140031364-A1 PHENYL-ISOXAZOL DERIVATIVES AND PREPARATION PROCESS THEREOF PIR, ALPL, PIGS GPBAR1 4105/4885EPAS1 926/4885MAPT 620/4885

“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.