SCHEMBL13736715

SCHEMBL13736715

COc1ccccc1N1CCN(C(=O)c2c(-c3cccc(C(F)(F)F)c3)noc2C)CC1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.76
KDM4E B2RXH2 1/20 0.76
GAA P10253 1/20 0.76
TSHR P16473 4/20 0.67
MAPK1 P28482 1/20 0.64
NPC1 O15118 2/20 0.58
POLB P06746 1/20 0.56
LMNA P02545 2/20 0.55
TP53 P04637 1/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 4/20 0.54
TACR3 P29371 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 2/20 0.52
THRB P10828 1/20 0.52
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.51

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
SCHEMBL13736222 0.90 ALDH1A1 (0.61) ALDH1A1KDM4EGAATSHRMAPK1
SCHEMBL13734349 0.88 NPC1 (0.61) ALDH1A1KDM4EGAATSHRNPC1
SCHEMBL13734977 0.88 ALDH1A1 (0.80) ALDH1A1KDM4EGAATSHRMAPK1
SCHEMBL13732783 0.88 NPC1 (0.61) ALDH1A1KDM4EGAATSHRMAPK1
SCHEMBL13735384 0.88 ALDH1A1 (0.74) ALDH1A1KDM4EGAATSHRMAPK1
SCHEMBL13733512 0.85 LMNA (0.64) ALDH1A1KDM4EGAATSHRNPC1
SCHEMBL13734751 0.84 LMNA (0.59) ALDH1A1KDM4EGAATSHRNPC1
SCHEMBL13734604 0.83 ALDH1A1 (0.78) ALDH1A1KDM4EGAATSHRMAPK1
SCHEMBL15436974 0.83 TSHR (0.75) ALDH1A1KDM4EGAATSHRMAPK1
Hydrochloric Acid SCHEMBL13733350 0.82 TSHR (0.74) ALDH1A1KDM4EGAATSHRMAPK1

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 ALDH1A1 1756/4885KDM4E 607/4885GAA 477/4885

“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.