SCHEMBL4121254

SCHEMBL4121254

C=CCc1c(NC(C)=O)ccc(/C(C)=N/O)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 4/20 0.35
POLB P06746 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
TSHR P16473 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
LMNA P02545 2/20 0.31
GAA P10253 1/20 0.31
NFKB1 P19838 1/20 0.31

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
SCHEMBL4121257 1.00 GABRA1 (0.37) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL4132400 0.86 GABRA1 (0.40) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL13596078 0.85 GABRA1 (0.32) GABRA1GABRB2POLBHPGDGAA
SCHEMBL10738814 0.85 KDM4E (0.43) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL2964830 0.83 SMN1; SMN2 (0.43) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL7527527 0.80 CYP3A4 (0.46) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL13596055 0.74 GABRA1 (0.32) GABRA1GABRB2SLC2A1
SCHEMBL13596070 0.73 MEN1 (0.37) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL8887655 0.73 KDM4E (0.42) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL4980772 0.72 KDM4E (0.49) GABRA1GABRA5GABRA3GABRA2GABRB2

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 GABRA1 7/4885GABRA5 14/4885GABRA3 17/4885

“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.