SCHEMBL21000000

SCHEMBL21000000

NCCCCCCNC(=O)c1ccc(NCCCCCCN)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.57
MAPK1 P28482 1/20 0.54
PRSS1 P07477 5/20 0.51
F2 P00734 2/20 0.51
PRSS2 P07478 2/20 0.51
PRSS3 P35030 2/20 0.51
TMPRSS6 Q8IU80 2/20 0.51
ST14 Q9Y5Y6 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HDAC3 O15379 3/20 0.51
HDAC1 Q13547 3/20 0.51
HDAC2 Q92769 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
MAOB P27338 1/20 0.50
HDAC6 Q9UBN7 2/20 0.49
HDAC4 P56524 1/20 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
SCHEMBL26709560 0.90 MAPK1 (0.65) NAMPTMAPK1NPC1RAB9AHDAC3
SCHEMBL12960847 0.90 MAPK1 (0.65) NAMPTMAPK1NPC1RAB9AHDAC3
SCHEMBL3523157 0.88 MAPK1 (0.61) NAMPTMAPK1NPC1RAB9AHDAC3
SCHEMBL28362105 0.85 HDAC1 (0.60) NAMPTMAPK1NPC1RAB9AHDAC3
SCHEMBL27996132 0.85 HDAC1 (0.60) NAMPTMAPK1NPC1RAB9AHDAC3
SCHEMBL28038483 0.83 MAPK1 (0.57) NAMPTMAPK1NPC1RAB9AHDAC3
SCHEMBL11666857 0.83 PRSS1 (0.54) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL13566561 0.83 MAPK1 (0.62) NAMPTMAPK1NPC1RAB9AHDAC3
SCHEMBL14159023 0.82 CYP1A2 (0.63) MAPK1NPC1RAB9AL3MBTL1CYP1A2
SCHEMBL11966134 0.82 L3MBTL1 (0.73) MAPK1NPC1RAB9AHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11001671-B2 Diamine-diacid salt, copolymer and method for manufacturing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2021-05-11 US disclosed
US-20190144605-A1 DIAMINE COMPOUND, DIAMINE-DIACID SALT, COPOLYMER AND METHOD FOR MANUFACTURING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2019-05-16 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 (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-20190144605-A1 DIAMINE COMPOUND, DIAMINE-DIACID SALT, COPOLYMER AND METHOD FOR MANUFACTURING THE SAME DDC, SRM, ACMSD NAMPT 1619/4885MAPK1 1196/4885PRSS1 4425/4885
US-11001671-B2 Diamine-diacid salt, copolymer and method for manufacturing the same DDC, CA12, ACMSD NAMPT 2123/4885MAPK1 914/4885PRSS1 4361/4885

“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.