SCHEMBL13735596

SCHEMBL13735596

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.47
GAA P10253 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.43
MGLL Q99685 4/20 0.42
POLB P06746 1/20 0.42
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TACR3 P29371 1/20 0.40
TSHR P16473 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
SCHEMBL13733050 0.91 CYP1A2 (0.49) SLC6A7GAANPC1ALDH1A1KDM4E
SCHEMBL13733655 0.90 GAA (0.46) GAANPC1RAB9AALDH1A1KDM4E
SCHEMBL13734151 0.90 NPC1 (0.58) SLC6A7GAANPC1RAB9AALDH1A1
SCHEMBL13735516 0.89 ALDH1A1 (0.60) GAANPC1RAB9AALDH1A1KDM4E
SCHEMBL13733066 0.87 LMNA (0.47) SLC6A7GAARAB9AALDH1A1KDM4E
SCHEMBL13733907 0.86 GAA (0.61) SLC6A7GAANPC1RAB9AALDH1A1
SCHEMBL13733611 0.85 NPC1 (0.49) GAANPC1RAB9AALDH1A1KDM4E
SCHEMBL13733508 0.85 RAB9A (0.54) SLC6A7NPC1RAB9AKDM4EMAPT
SCHEMBL13733180 0.84 LMNA (0.51) SLC6A7GAANPC1RAB9AALDH1A1
SCHEMBL13734079 0.83 TSHR (0.48) GAANPC1RAB9AALDH1A1KDM4E

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 SLC6A7 2370/4885GAA 477/4885NPC1 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.