SCHEMBL4127023

SCHEMBL4127023

C=CCOc1cc(N2CCOCC2)ccc1C(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 3/20 0.57
▸ MAPT P10636 7/20 0.49
▸ P2RY12 Q9H244 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ HIF1A Q16665 1/20 0.45
▸ ATM Q13315 1/20 0.43
▸ PTGDR Q13258 1/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ THRB P10828 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MRGPRX4 Q96LA9 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
SCHEMBL4126878 0.88 PTGDR (0.44) PRKDCMAPTALDH1A1HIF1APTGDR
SCHEMBL20471984 0.82 GAA (0.55) PRKDCMAPTP2RY12KDM4EALDH1A1
SCHEMBL8088529 0.81 PRKDC (0.57) PRKDCMAPTKDM4EALDH1A1HTT
SCHEMBL14339148 0.74 PRKDC (0.73) PRKDCMAPTKDM4EALDH1A1HTT
SCHEMBL600210 0.74 PRKDC (1.00) PRKDCMAPTKDM4EALDH1A1HTT
SCHEMBL29776854 0.74 PRKDC (1.00) PRKDCMAPTKDM4EALDH1A1HTT
SCHEMBL6121031 0.74 FLT3 (0.47) MAPTKDM4EALDH1A1HTTKMT2A
SCHEMBL8260769 0.72 PRKDC (0.71) PRKDCMAPTKDM4EALDH1A1HTT
SCHEMBL30590429 0.72 PRKDC (0.71) PRKDCMAPTKDM4EALDH1A1HTT
SCHEMBL14551894 0.72 PRKDC (0.71) PRKDCMAPTKDM4EALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 — — US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 — — EP 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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 PRKDC 4866/4885MAPT 4157/4885P2RY12 526/4885

“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.

Send feedback