SCHEMBL13733490

SCHEMBL13733490

Nc1onc(-c2ccccc2F)c1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.64
LMNA P02545 4/20 0.64
ALDH1A1 P00352 2/20 0.64
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
MAPK1 P28482 2/20 0.59
HTT P42858 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MAPT P10636 2/20 0.53
THRB P10828 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
POLB P06746 2/20 0.52
ATM Q13315 1/20 0.51
HSD17B10 Q99714 1/20 0.48
TP53 P04637 1/20 0.48
EPAS1 Q99814 1/20 0.48
GAA P10253 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 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
SCHEMBL13733934 0.90 TSHR (0.64) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL13733950 0.89 TSHR (0.65) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL13734484 0.88 TSHR (0.52) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL13734667 0.87 LMNA (0.60) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL13734743 0.85 KMT2A (0.52) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL13733657 0.85 MEN1 (0.59) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL13736524 0.83 SMN1; SMN2 (0.52) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL13733519 0.83 TSHR (0.54) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL13734067 0.82 HTT (0.50) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL13734569 0.81 CYP1A2 (0.52) TSHRLMNAALDH1A1MEN1KMT2A

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 8 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
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 TSHR 3611/4885LMNA 1031/4885ALDH1A1 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.