SCHEMBL13733907

SCHEMBL13733907

Nc1onc(-c2cccc(C(F)(F)F)c2)c1C(=O)N1CCN(c2ccccc2O)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.61
ALDH1A1 P00352 4/20 0.49
NPC1 O15118 2/20 0.47
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.44
SLC6A7 Q99884 1/20 0.44
TSHR P16473 3/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 0.42
THRB P10828 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 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
SCHEMBL13734569 0.91 CYP1A2 (0.52) GAAALDH1A1NPC1POLBKDM4E
SCHEMBL13732783 0.89 NPC1 (0.61) GAAALDH1A1NPC1POLBKDM4E
SCHEMBL13733611 0.88 NPC1 (0.49) GAAALDH1A1NPC1POLBKDM4E
SCHEMBL13736222 0.88 ALDH1A1 (0.61) GAAALDH1A1NPC1POLBKDM4E
SCHEMBL13734667 0.87 LMNA (0.60) GAAALDH1A1POLBTSHRHTT
SCHEMBL13735596 0.86 SLC6A7 (0.47) GAAALDH1A1NPC1POLBKDM4E
SCHEMBL13732904 0.86 LMNA (0.49) GAAALDH1A1POLBKDM4ESLC6A7
SCHEMBL13732808 0.84 TSHR (0.52) ALDH1A1POLBKDM4ESLC6A7TSHR
SCHEMBL13735353 0.82 POLB (0.47) GAAALDH1A1NPC1POLBKDM4E
SCHEMBL13735688 0.82 TSHR (0.49) GAAALDH1A1POLBSLC6A7TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9132126-B2 Phenyl-isoxazole derivatives and preparation process thereof IL-YANG PHARM. CO., LTD. (KR) 2015-09-15 US claimed
EP-2699566-A1 PHENYL-ISOXAZOL DERIVATIVES AND PREPARATION PROCESS THEREOF Il-Yang Pharm. Co., Ltd. (KR) 2014-02-26 EP claimed
US-20140031364-A1 PHENYL-ISOXAZOL DERIVATIVES AND PREPARATION PROCESS THEREOF IL-YANG PHARM. CO., LTD. (KR) 2014-01-30 US claimed
WO-2012144752-A1 PHENYL-ISOXAZOL DERIVATIVES AND PREPARATION PROCESS THEREOF IL-YANG PHARM. CO., LTD. (KR) 2012-10-26 WO claimed
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

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-20140031364-A1 PHENYL-ISOXAZOL DERIVATIVES AND PREPARATION PROCESS THEREOF PIR, ALPL, PIGS GAA 477/4885ALDH1A1 1756/4885NPC1 2802/4885

“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.