SCHEMBL4131426

SCHEMBL4131426

CN(C)Cc1c(CNC(=O)c2ccc(F)cc2)ccc2c(CCC3CCN(C(=O)OC(C)(C)C)CC3)noc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
TP53 P04637 2/20 0.39
GPR119 Q8TDV5 4/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4115154 0.93 KDM4E (0.45) KDM4EPKMTP53GPR119HDAC4
SCHEMBL4126753 0.90 ACHE (0.38) LMNASMN1; SMN2
Dimethylamine SCHEMBL4131431 0.88 KDM4E (0.44) KDM4EPKMTP53GPR119HDAC4
SCHEMBL4134365 0.88 KDM4E (0.40) KDM4EPKMTP53GPR119HDAC4
SCHEMBL4114110 0.87 TP53 (0.47) TP53LMNAMEN1KMT2A
SCHEMBL4113442 0.87 LMNA (0.40) GPR119LMNACYP2C19SMN1; SMN2
SCHEMBL13596549 0.86 GPR119 (0.44) GPR119MEN1KMT2A
SCHEMBL4114395 0.85 ACHE (0.52) MEN1KMT2A
Hydrochloric Acid SCHEMBL4121978 0.84 ACHE (0.51)
SCHEMBL4129938 0.84 GPR119 (0.42) KDM4EPKMGPR119

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 4 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
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
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 KDM4E 3136/4885PKM 2715/4885TP53 4859/4885

“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.