SCHEMBL13733611

SCHEMBL13733611

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
GAA P10253 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
SCD O00767 2/20 0.46
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SCD5 Q86SK9 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TACR3 P29371 2/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 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
SCHEMBL13735827 0.91 CYP1A2 (0.56) NPC1GAAALDH1A1KDM4ESCD
SCHEMBL13735324 0.88 NPC1 (0.64) NPC1GAAALDH1A1KDM4EHTT
SCHEMBL13733907 0.88 GAA (0.61) NPC1GAAALDH1A1KDM4EHTT
Hydrochloric Acid SCHEMBL13734670 0.87 NPC1 (0.63) NPC1GAAALDH1A1KDM4EHTT
SCHEMBL13733412 0.87 ALDH1A1 (0.65) GAAALDH1A1KDM4EHTTTACR3
SCHEMBL13735596 0.85 SLC6A7 (0.47) NPC1GAAALDH1A1KDM4EHTT
SCHEMBL13733648 0.85 KMT2A (0.53) NPC1KDM4ESCDHTTSMN1; SMN2
SCHEMBL13732816 0.85 KMT2A (0.53) NPC1KDM4ESCDHTTSMN1; SMN2
SCHEMBL13733969 0.83 CYP1A2 (0.49) NPC1GAAALDH1A1KDM4EHTT
SCHEMBL13735999 0.81 SMN1; SMN2 (0.50) ALDH1A1SCDHTTSMN1; SMN2SCD5

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 NPC1 2802/4885GAA 477/4885ALDH1A1 1756/4885

“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.