SCHEMBL13733445

SCHEMBL13733445

Nc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2ccccc2F)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
GAA P10253 1/20 0.61
TSHR P16473 4/20 0.59
MAPK1 P28482 2/20 0.59
LMNA P02545 5/20 0.57
HTT P42858 2/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
KDM4E B2RXH2 3/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 2/20 0.53
EPAS1 Q99814 1/20 0.52
RAB9A P51151 1/20 0.51
MEN1 O00255 1/20 0.50
HIF1A Q16665 1/20 0.50
USP2 O75604 2/20 0.48
ALOX15 P16050 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
SCHEMBL13735436 0.92 CYP1A2 (0.58) ALDH1A1GAATSHRMAPK1SMN1; SMN2
SCHEMBL13735654 0.89 TSHR (0.60) ALDH1A1GAATSHRMAPK1LMNA
SCHEMBL13734262 0.86 CYP1A2 (0.52) ALDH1A1GAATSHRMAPK1SMN1; SMN2
SCHEMBL13733501 0.86 LMNA (0.65) ALDH1A1GAATSHRMAPK1LMNA
SCHEMBL13733444 0.85 TSHR (0.81) ALDH1A1GAATSHRMAPK1LMNA
SCHEMBL13733969 0.84 CYP1A2 (0.49) ALDH1A1GAATSHRMAPK1LMNA
SCHEMBL13735869 0.84 CYP1A2 (0.49) ALDH1A1GAATSHRMAPK1LMNA
SCHEMBL13734049 0.82 LMNA (0.66) ALDH1A1GAATSHRMAPK1LMNA
SCHEMBL13732856 0.82 ALDH1A1 (0.64) ALDH1A1GAATSHRMAPK1LMNA
SCHEMBL13735185 0.81 TSHR (0.64) ALDH1A1GAATSHRMAPK1LMNA

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 1756/4885GAA 477/4885TSHR 3611/4885

“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.