SCHEMBL13733539

SCHEMBL13733539

Cc1onc(-c2ccccc2C(F)(F)F)c1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.65
ALDH1A1 P00352 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
LMNA P02545 3/20 0.60
HTT P42858 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.56
POLB P06746 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
NPC1 O15118 1/20 0.55
ATM Q13315 1/20 0.53
MAPT P10636 2/20 0.53
THRB P10828 2/20 0.53
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
MAPK1 P28482 1/20 0.52
KDM4E B2RXH2 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
SCHEMBL13733950 0.91 TSHR (0.65) TSHRALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL13734970 0.89 TSHR (0.62) TSHRALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL13733215 0.88 TSHR (0.61) TSHRALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL13733718 0.86 ALDH1A1 (0.66) TSHRALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL13735580 0.86 LMNA (0.63) TSHRALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL13733416 0.83 POLB (0.59) TSHRALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL13732477 0.82 POLB (0.61) TSHRALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL13734956 0.82 POLB (0.61) TSHRALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL13732248 0.81 MAPT (0.58) TSHRALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL13733512 0.80 LMNA (0.64) TSHRALDH1A1SMN1; SMN2LMNAHTT

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 TSHR 3611/4885ALDH1A1 1756/4885SMN1; SMN2 3568/4885

“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.