SCHEMBL13733718

SCHEMBL13733718

Cc1onc(-c2ccccc2C(F)(F)F)c1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
TSHR P16473 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
LMNA P02545 7/20 0.64
HTT P42858 3/20 0.64
KDM4E B2RXH2 2/20 0.57
POLB P06746 2/20 0.55
KMT2A Q03164 4/20 0.55
EPAS1 Q99814 1/20 0.54
MAPK1 P28482 1/20 0.54
MEN1 O00255 2/20 0.52
HIF1A Q16665 1/20 0.52
RAB9A P51151 1/20 0.51
TP53 P04637 1/20 0.50
GPBAR1 Q8TDU6 1/20 0.50
USP2 O75604 1/20 0.49

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
SCHEMBL13732708 0.89 TSHR (0.52) ALDH1A1TSHRSMN1; SMN2LMNAHTT
SCHEMBL13733158 0.88 TSHR (0.69) ALDH1A1TSHRSMN1; SMN2LMNAHTT
SCHEMBL13735580 0.87 LMNA (0.63) ALDH1A1TSHRSMN1; SMN2LMNAHTT
SCHEMBL13735471 0.87 ALDH1A1 (0.63) ALDH1A1TSHRSMN1; SMN2LMNAHTT
SCHEMBL13733539 0.86 TSHR (0.65) ALDH1A1TSHRSMN1; SMN2LMNAHTT
Hydrochloric Acid SCHEMBL13735418 0.86 ALDH1A1 (0.62) ALDH1A1TSHRSMN1; SMN2LMNAHTT
SCHEMBL13734970 0.85 TSHR (0.62) ALDH1A1TSHRSMN1; SMN2LMNAHTT
SCHEMBL13734448 0.83 LMNA (0.59) ALDH1A1TSHRSMN1; SMN2LMNAHTT
SCHEMBL13734956 0.81 POLB (0.61) ALDH1A1TSHRSMN1; SMN2LMNAHTT
SCHEMBL13732477 0.81 POLB (0.61) ALDH1A1TSHRSMN1; 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 ALDH1A1 1756/4885TSHR 3611/4885SMN1; 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.