SCHEMBL3487348

SCHEMBL3487348

O=C(NC1CCCCNC1)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.63
ALDH1A1 P00352 2/20 0.59
GAA P10253 1/20 0.59
TSHR P16473 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSK P43235 1/20 0.51
DPP4 P27487 1/20 0.49
KCNH2 Q12809 1/20 0.49
DPP7 Q9UHL4 1/20 0.49
EPHX2 P34913 1/20 0.49
CPB1 P15086 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.47
TLR4 O00206 1/20 0.47

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
SCHEMBL28833761 1.00 EPHX1 (0.63) EPHX1ALDH1A1GAATSHRMEN1
SCHEMBL3316063 0.96 EPHX1 (0.61) EPHX1ALDH1A1GAATSHRMEN1
SCHEMBL3295234 0.96 EPHX1 (0.61) EPHX1ALDH1A1GAATSHRMEN1
SCHEMBL963963 0.96 EPHX1 (0.61) EPHX1ALDH1A1GAATSHRMEN1
Hydrochloric Acid SCHEMBL5234327 0.95 EPHX1 (0.60) EPHX1ALDH1A1GAATSHRMEN1
SCHEMBL28876111 0.91 ALDH1A1 (0.55) EPHX1ALDH1A1GAATSHRMEN1
SCHEMBL2901586 0.91 ALDH1A1 (0.63) EPHX1ALDH1A1GAATSHRMEN1
SCHEMBL240038 0.91 ALDH1A1 (0.63) EPHX1ALDH1A1GAATSHRMEN1
SCHEMBL240039 0.91 ALDH1A1 (0.63) EPHX1ALDH1A1GAATSHRMEN1
Hydrochloric Acid SCHEMBL2854037 0.90 ALDH1A1 (0.61) EPHX1ALDH1A1GAATSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110194770-B Peptidyl arginine deiminase inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2022-08-09 CN disclosed
CN-114437105-A Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2022-05-06 CN disclosed
CN-109071504-B Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2022-03-08 CN disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 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-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 EPHX1 2294/4885ALDH1A1 348/4885GAA 1558/4885

“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.