SCHEMBL18174259

SCHEMBL18174259

COC(=O)C(C)Cc1ccc(OC(F)(F)F)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.51
CACNA1H O95180 1/20 0.45
PDE2A O00408 4/20 0.43
P2RX7 Q99572 2/20 0.43
P2RX3 P56373 2/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
KCNH2 Q12809 1/20 0.41

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
SCHEMBL18174275 0.86 EPHX2 (0.50) EPHX2CACNA1HPDE2AP2RX3PPARD
SCHEMBL18174185 0.86 EPHX2 (0.50) EPHX2CACNA1HPDE2AP2RX3PPARD
SCHEMBL20128512 0.86 EPHX2 (0.50) EPHX2CACNA1HPDE2AP2RX7
SCHEMBL20132863 0.85 PPARA (0.49) EPHX2PDE2APPARDPPARA
SCHEMBL23030411 0.82 MAOA (0.42) P2RX3
SCHEMBL6611829 0.80 PDE2A (0.47) EPHX2CACNA1HPDE2AP2RX7
SCHEMBL15669409 0.79 LCK (0.45)
SCHEMBL20061669 0.77 PDE2A (0.44) EPHX2CACNA1HPDE2A
SCHEMBL6600311 0.77 TP53 (0.45) EPHX2CACNA1HPDE2AP2RX7
SCHEMBL8522084 0.76 HDAC3 (0.44)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10118920-B2 Isoxazolyl substituted benzimidazoles CELLCENTRIC LTD (GB) 2018-11-06 US disclosed
US-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES CELLCENTRIC LTD (GB) 2018-05-10 US disclosed
US-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES CELLCENTRIC LTD (GB) 2018-05-10 US disclosed
CN-107750249-A The benzimidazole of isoxazolyl substitution 塞尔森瑞科有限责任公司 2018-03-02 CN disclosed
EP-3286183-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES Cellcentric Ltd (GB) 2018-02-28 EP disclosed
WO-2016170324-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES CELLCENTRIC LTD (GB) 2016-10-27 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 (2 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-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES EP300, HDAC3, HDAC1 EPHX2 3907/4885CACNA1H 2018/4885PDE2A 4039/4885
US-10118920-B2 Isoxazolyl substituted benzimidazoles EP300, HDAC3, HDAC1 EPHX2 3907/4885CACNA1H 2018/4885PDE2A 4039/4885

“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.