SCHEMBL13734151

SCHEMBL13734151

Cc1onc(-c2cccc(OC(F)(F)F)c2)c1C(=O)N1CCN(c2ccccc2O)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.58
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
GAA P10253 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.54
POLB P06746 1/20 0.54
LMNA P02545 2/20 0.53
TP53 P04637 1/20 0.53
KMT2A Q03164 2/20 0.53
USP2 O75604 1/20 0.51
TSHR P16473 4/20 0.51
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.47
SLC6A7 Q99884 1/20 0.47

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
SCHEMBL13735699 0.91 NPC1 (0.58) NPC1ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL13734086 0.90 ALDH1A1 (0.60) NPC1ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL13735384 0.90 ALDH1A1 (0.74) NPC1ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL13735596 0.90 SLC6A7 (0.47) NPC1ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL13733663 0.87 LMNA (0.61) NPC1ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL13732783 0.86 NPC1 (0.61) NPC1ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL13735324 0.85 NPC1 (0.64) NPC1ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL13735116 0.85 LMNA (0.64) NPC1ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL13736238 0.85 LMNA (0.61) NPC1ALDH1A1KDM4EGAASMN1; SMN2
Hydrochloric Acid SCHEMBL13734670 0.84 NPC1 (0.63) NPC1ALDH1A1KDM4EGAASMN1; 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 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 2802/4885ALDH1A1 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.