SCHEMBL13733655

SCHEMBL13733655

Nc1onc(-c2ccc(OC(F)(F)F)cc2)c1C(=O)N1CCN(c2ccccc2O)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
TACR3 P29371 2/20 0.45
NPC1 O15118 3/20 0.45
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 2/20 0.41
KMT2A Q03164 1/20 0.41
KCNA5 P22460 1/20 0.40
USP2 O75604 1/20 0.39

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
SCHEMBL13733521 0.91 CYP1A2 (0.49) GAAALDH1A1KDM4ETACR3NPC1
SCHEMBL13735596 0.90 SLC6A7 (0.47) GAAALDH1A1KDM4ETACR3NPC1
SCHEMBL13734086 0.89 ALDH1A1 (0.60) GAAALDH1A1KDM4ENPC1LMNA
SCHEMBL13733477 0.88 ALDH1A1 (0.62) GAAALDH1A1KDM4ETACR3LMNA
SCHEMBL13734079 0.85 TSHR (0.48) GAAALDH1A1KDM4ENPC1LMNA
SCHEMBL13733556 0.85 LMNA (0.50) GAANPC1LMNATP53POLB
SCHEMBL13733756 0.83 LMNA (0.50) KDM4ELMNATP53POLBSMN1; SMN2
SCHEMBL13733907 0.81 GAA (0.61) GAAALDH1A1KDM4ENPC1LMNA
SCHEMBL13734183 0.81 LMNA (0.54) ALDH1A1KDM4ETACR3NPC1LMNA
SCHEMBL13733050 0.81 CYP1A2 (0.49) GAAALDH1A1KDM4ENPC1POLB

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 1756/4885KDM4E 607/4885

“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.