SCHEMBL2328038

SCHEMBL2328038

CSCCC(NC(=O)c1ccccn1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CA2 P00918 3/20 0.51
CA1 P00915 2/20 0.51
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.48

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 1.00 KMT2A (0.55) KMT2AMEN1ALDH1A1NPSR1CA2
SCHEMBL2331560 0.88 PSMB5 (0.49) KMT2AALDH1A1RAB9A
SCHEMBL14729264 0.82 NAALAD2 (0.52) KMT2ACA2CA1
SCHEMBL1605388 0.82 NAALAD2 (0.52) KMT2ACA2CA1
SCHEMBL8130992 0.82 KDM4E (0.52) KMT2AALDH1A1RAB9A
SCHEMBL31445160 0.82 KDM4E (0.52) KMT2AALDH1A1RAB9A
SCHEMBL21968829 0.82 FPR1 (0.56) ALDH1A1NPSR1CA2CA1USP2
SCHEMBL21969646 0.82 FPR1 (0.56) ALDH1A1NPSR1CA2CA1USP2
SCHEMBL1158033 0.80 CA2 (0.69) KMT2AMEN1ALDH1A1NPSR1CA2
SCHEMBL1158031 0.80 CA2 (0.69) KMT2AMEN1ALDH1A1NPSR1CA2

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 8 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
CN-102215812-B Anti-wrinkle agents POLA CHEM IND INC 2014-09-10 CN disclosed
CN-102807600-B Amino acid modified spinacin derivative and preparation method and application thereof UNIV CAPITAL MEDICAL 2014-08-13 CN disclosed
CN-102807600-A Amino acid modified spinacin derivative and preparation method and application thereof UNIV CAPITAL MEDICAL 2012-12-05 CN 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 KMT2A 3153/4885MEN1 4082/4885ALDH1A1 2655/4885

“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.