SCHEMBL4113442

SCHEMBL4113442

CN(C)Cc1c(CC(=O)Nc2ccc(F)cc2)ccc2c(CCC3CCN(C(=O)OC(C)(C)C)CC3)noc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.39
NR2F2 P24468 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CETP P11597 2/20 0.39
GPR119 Q8TDV5 9/20 0.39
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL4130392 0.93 LMNA (0.40) LMNAALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL4135877 0.90 ACHE (0.40) ALDH1A1BCHEACHE
SCHEMBL13597339 0.89 ACHE (0.38) ALDH1A1NPC1SMN1; SMN2BCHEACHE
Dimethylamine SCHEMBL4113447 0.88 CETP (0.41) LMNAALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL13596239 0.88 LMNA (0.37) LMNAALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL4131426 0.87 KDM4E (0.43) LMNACYP2C19SMN1; SMN2GPR119
SCHEMBL13596549 0.86 GPR119 (0.44) GPR119
SCHEMBL4127193 0.85 ACHE (0.54) BCHEACHE
Hydrochloric Acid SCHEMBL4133552 0.84 ACHE (0.54) BCHEACHE
SCHEMBL4114110 0.83 TP53 (0.47) LMNA

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 3 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
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 LMNA 3162/4885ALDH1A1 858/4885CYP3A4 157/4885

“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.