SCHEMBL4133383

SCHEMBL4133383

C=CCc1c(NC(C)=O)ccc2c(C)noc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
EDNRA P25101 1/20 0.35
MAPT P10636 3/20 0.33
HPGD P15428 3/20 0.33
TSHR P16473 2/20 0.33
TOP2A P11388 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
SRD5A1 P18405 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL13596069 0.83 CYP1A2 (0.34) KDM4EHSD17B10MAPTLMNAMAPK1
SCHEMBL4125002 0.77 SRD5A1 (0.46) ALDH1A1KDM4EMAPTHPGDMAPK1
SCHEMBL4124994 0.74 EDNRA (0.39) ALDH1A1KDM4EEDNRAMAPTHPGD
SCHEMBL4126548 0.74 EDNRA (0.39) ALDH1A1KDM4EEDNRAMAPTHPGD
SCHEMBL4124996 0.74 EDNRA (0.39) ALDH1A1KDM4EEDNRAMAPTHPGD
SCHEMBL3955829 0.72 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHTTSRD5A1
SCHEMBL13596053 0.72 CYP1A2 (0.34) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL4133035 0.69 GABRA1 (0.40) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL29058150 0.68 GABRA1 (0.50) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL4132400 0.68 GABRA1 (0.40) ALDH1A1KDM4EHSD17B10MAPTHPGD

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 ALDH1A1 858/4885KDM4E 3136/4885HSD17B10 599/4885

“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.