SCHEMBL13734262

SCHEMBL13734262

Nc1onc(-c2ccccc2C(F)(F)F)c1C(=O)N1CCN(c2ccccc2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.47
TSHR P16473 3/20 0.47
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 3/20 0.47
USP2 O75604 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALOX15 P16050 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TP53 P04637 2/20 0.44
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL13735353 0.90 POLB (0.47) SMN1; SMN2TSHRALDH1A1POLBGAA
SCHEMBL13735436 0.90 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19SMN1; SMN2TSHR
SCHEMBL13732477 0.88 POLB (0.61) CYP1A2CYP2C9CYP2C19SMN1; SMN2TSHR
SCHEMBL13733208 0.87 TSHR (0.61) SMN1; SMN2TSHRALDH1A1POLBGAA
SCHEMBL13733502 0.86 MAPT (0.48) CYP1A2CYP2C9CYP2C19SMN1; SMN2TSHR
SCHEMBL13733445 0.86 ALDH1A1 (0.61) CYP1A2CYP2C9CYP2C19SMN1; SMN2TSHR
SCHEMBL13735869 0.86 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19SMN1; SMN2TSHR
SCHEMBL13733328 0.84 LMNA (0.48) SMN1; SMN2TSHRALDH1A1POLBGAA
SCHEMBL13733969 0.83 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19SMN1; SMN2TSHR
SCHEMBL13734569 0.82 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19SMN1; SMN2TSHR

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 CYP1A2 97/4885CYP2C9 46/4885CYP2C19 8/4885

“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.