SCHEMBL17827357

SCHEMBL17827357

N=C(N)NCCCC(NC(=O)C(N)Cc1c[nH]c2ccccc12)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MPO P05164 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ GHSR Q92847 2/20 0.51
▸ KISS1R Q969F8 3/20 0.51
▸ OPRM1 P35372 2/20 0.50
▸ OPRD1 P41143 2/20 0.50
▸ OPRK1 P41145 2/20 0.50
▸ OPRL1 P41146 2/20 0.50
▸ NPY1R P25929 3/20 0.49
▸ NPY2R P49146 3/20 0.49
▸ NPY4R P50391 3/20 0.49

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
SCHEMBL28175487 1.00 ECE1 (0.52) ECE1KDM4EMEN1LMNAMPO
SCHEMBL30635329 1.00 ECE1 (0.52) ECE1KDM4EMEN1LMNAMPO
SCHEMBL29389812 0.94 NPY1R (0.56) ECE1KISS1ROPRM1OPRD1OPRK1
SCHEMBL4947728 0.93 KDM4E (0.56) ECE1KDM4EMEN1LMNAMPO
SCHEMBL4947716 0.93 KDM4E (0.56) ECE1KDM4EMEN1LMNAMPO
SCHEMBL13605071 0.93 KDM4E (0.56) ECE1KDM4EMEN1LMNAMPO
SCHEMBL31193750 0.93 NPY4R (0.58) ECE1GHSRKISS1ROPRM1OPRD1
SCHEMBL29483769 0.92 GHSR (0.60) GHSRPRKACBNPBWR1
SCHEMBL29641173 0.92 GHSR (0.60) GHSRPRKACBNPBWR1
SCHEMBL29483770 0.92 GHSR (0.60) GHSRPRKACBNPBWR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168196-A1 COMPOUND FOR LABELING SUGAR CHAIN SAMPLE SUMITOMO BAKELITE CO., LTD. (JP) 2016-06-16 — — US 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-20160168196-A1 COMPOUND FOR LABELING SUGAR CHAIN SAMPLE SLC2A4, SLC2A2, SLC2A1 ECE1 4317/4885KDM4E 2245/4885MEN1 1799/4885

“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.

Send feedback