SCHEMBL1965207

SCHEMBL1965207

[CH2]c1cccc2c1nnn2C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.48
KEAP1 Q14145 1/20 0.48
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
GRM2 Q14416 8/20 0.38
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HCAR3 P49019 1/20 0.32
CCKBR P32239 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL19911638 0.80 GRM2 (0.50) SLC9A1KEAP1KDM4ELMNATSHR
SCHEMBL30036706 0.78 SLC9A1 (0.50) SLC9A1KEAP1KDM4ELMNATSHR
SCHEMBL256210 0.78 SLC9A1 (0.50) SLC9A1KEAP1KDM4ELMNATSHR
SCHEMBL19911637 0.76 GRM2 (0.62) SLC9A1KEAP1GRM2
SCHEMBL19848410 0.76 SLC9A1 (0.48) SLC9A1KEAP1KDM4ELMNATSHR
SCHEMBL18186933 0.76 GRM2 (0.50) SLC9A1KEAP1KDM4ELMNATSHR
SCHEMBL10734042 0.76 SLC9A1 (0.48) SLC9A1KEAP1KDM4ELMNATSHR
SCHEMBL30929215 0.76 GRM2 (0.62) SLC9A1KEAP1GRM2
SCHEMBL31474375 0.76 SLC9A1 (0.48) SLC9A1KEAP1KDM4ELMNATSHR
SCHEMBL9134619 0.74 SLC9A1 (0.47) SLC9A1KEAP1KDM4ELMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2336131-A1 Hydantoin compounds Eisai R&D Management Co., Ltd. (JP) 2011-06-22 EP disclosed
US-20100113446-A1 HYDANTOIN COMPOUNDS GALLAGHER JR BRIAN M 2010-05-06 US disclosed
US-7666875-B2 1,3,8-triazaspiro(4,5)decane derivatives; antiinflammatory agent for treating rheumatoid arthritis, allergic, multiple sclerosis, autoimmune disease such as inflammatory bowel disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-02-23 US disclosed
EP-1888583-A2 HYDANTOIN COMPOUNDS Eisai Co., Ltd. (JP) 2008-02-20 EP disclosed
US-20060270696-A1 Hydantoin compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-11-30 US disclosed
WO-2006128143-A2 HYDANTOIN COMPOUNDS EISAI CO., LTD. (JP) 2006-11-30 WO 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 (2 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-20060270696-A1 Hydantoin compounds HNMT, HLA-DRB1, SSB SLC9A1 101/4885KEAP1 610/4885KDM4E 1585/4885
US-20100113446-A1 HYDANTOIN COMPOUNDS HNMT, HLA-DRB1, SSB SLC9A1 101/4885KEAP1 610/4885KDM4E 1585/4885

“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.