SCHEMBL2331560

SCHEMBL2331560

CSCC(NC(=O)c1ccccn1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 1/20 0.49
▸ EPHX2 P34913 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ HTT P42858 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ ALPL P05186 1/20 0.47
▸ LMNA P02545 3/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ GRM4 Q14833 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ GFER P55789 1/20 0.45
▸ GRN P28799 1/20 0.45
▸ SORT1 Q99523 1/20 0.45
▸ NAPRT Q6XQN6 1/20 0.45
▸ P4HTM Q9NXG6 1/20 0.45

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
SCHEMBL2328043 0.88 KMT2A (0.55) ALDH1A1KMT2ARAB9A
SCHEMBL2328038 0.88 KMT2A (0.55) ALDH1A1KMT2ARAB9A
SCHEMBL8130992 0.85 KDM4E (0.52) PSMB5EPHX2KDM4EHTTALDH1A1
SCHEMBL31445160 0.85 KDM4E (0.52) PSMB5EPHX2KDM4EHTTALDH1A1
SCHEMBL27900720 0.84 PTGS2 (0.51) PSMB5EPHX2KDM4EHTTALDH1A1
SCHEMBL12984806 0.84 PTGS2 (0.51) PSMB5EPHX2KDM4EHTTALDH1A1
SCHEMBL1605388 0.83 NAALAD2 (0.52) EPHX2KDM4EHTTKMT2ASMN1; SMN2
SCHEMBL14729264 0.83 NAALAD2 (0.52) EPHX2KDM4EHTTKMT2ASMN1; SMN2
SCHEMBL8861463 0.82 EPHX2 (0.50) PSMB5EPHX2KDM4EHTTALDH1A1
SCHEMBL27883399 0.82 EPHX2 (0.50) PSMB5EPHX2KDM4EHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356979-B1 ANTI-WRINKLE AGENTS POLA CHEM IND INC (JP) 2017-10-25 — — EP disclosed
EP-3173063-A1 ANTI-WRINKLE AGENTS Pola Chemical Industries Inc. (JP) 2017-05-31 — — EP disclosed
US-8835498-B2 Anti-wrinkle agents POLA CHEMICAL INDUSTRIES INC. (JP) 2014-09-16 — — US disclosed
US-20110245343-A1 ANTI-WRINKLE AGENTS POLA CHEMICAL INDUSTRIES INC. (JP) 2011-10-06 — — US disclosed
EP-2356979-A1 ANTI-WRINKLE AGENTS Pola Chemical Industries Inc. (JP) 2011-08-17 — — 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-20110245343-A1 ANTI-WRINKLE AGENTS GLA, H1-4, H1-3 PSMB5 1383/4885EPHX2 3671/4885KDM4E 965/4885

“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.

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