SCHEMBL13733934

SCHEMBL13733934

Nc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.64
ALDH1A1 P00352 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
LMNA P02545 6/20 0.59
HTT P42858 2/20 0.59
NPSR1 Q6W5P4 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAPT P10636 4/20 0.52
THRB P10828 2/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
MAPK1 P28482 2/20 0.51
ATM Q13315 1/20 0.50
KDM4E B2RXH2 1/20 0.50
TP53 P04637 3/20 0.49
GAA P10253 1/20 0.49
EPAS1 Q99814 1/20 0.49
POLB P06746 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL13733490 0.90 TSHR (0.64) TSHRALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL13734484 0.87 TSHR (0.52) TSHRALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL13734667 0.86 LMNA (0.60) TSHRALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL13732856 0.85 ALDH1A1 (0.64) TSHRALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL13732607 0.84 ALDH1A1 (0.67) TSHRALDH1A1SMN1; SMN2LMNAHTT
Hydrochloric Acid SCHEMBL13732867 0.84 ALDH1A1 (0.66) TSHRALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL13735688 0.83 TSHR (0.49) TSHRALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL13733501 0.83 LMNA (0.65) TSHRALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL13733657 0.83 MEN1 (0.59) TSHRALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL13732708 0.82 TSHR (0.52) 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.