SCHEMBL6480081

SCHEMBL6480081

CCN(CC)C(=O)c1cc(C(=O)N(CC)CC)ncn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
MAPT P10636 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 7/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 3/20 0.41
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
RECQL P46063 1/20 0.41
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4A O75164 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL6480080 0.93 ALDH1A1 (0.53) ALDH1A1MAPTL3MBTL1APOBEC3AAPOBEC3G
SCHEMBL9731204 0.83 ALDH1A1 (0.44) ALDH1A1MAPTL3MBTL1APOBEC3AAPOBEC3G
SCHEMBL29265658 0.77 ALDH1A1 (0.53) ALDH1A1MAPTL3MBTL1APOBEC3AAPOBEC3G
SCHEMBL30975213 0.77 ALDH1A1 (0.53) ALDH1A1MAPTL3MBTL1APOBEC3AAPOBEC3G
SCHEMBL5353274 0.77 TP53 (0.42) ALDH1A1MAPTL3MBTL1TP53HPGD
SCHEMBL5808527 0.76 ALDH1A1 (0.69) ALDH1A1MAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL12677912 0.76 ALDH1A1 (0.69) ALDH1A1MAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL9731029 0.76 SCN9A (0.41) ALDH1A1MAPTL3MBTL1HPGDHSD17B10
SCHEMBL9731409 0.75 NTRK2 (0.45) ALDH1A1MAPTL3MBTL1
SCHEMBL2326552 0.74 ALDH1A1 (0.67) ALDH1A1MAPTL3MBTL1APOBEC3AAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6933298-B2 Pyridine-2,4-dicarboxylic acid diamides and pyrimidine-4,6-dicarboxylic acid diamides and the use thereof for selectively inhibiting collagenases AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-08-23 US disclosed
US-20030229103-A1 PYRIDINE-2,4-DICARBOXYLIC ACID DIAMIDES AND PYRIMIDINE-4,6-DICARBOXYLIC ACID DIAMIDES AND THE USE THEREOF FOR SELECTIVELY INHIBITING COLLAGENASES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-12-11 US disclosed
US-5130317-A Immunosuppressants and fibrosuppressants for metabolism of collagen HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-14 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-20030229103-A1 PYRIDINE-2,4-DICARBOXYLIC ACID DIAMIDES AND PYRIMIDINE-4,6-DICARBOXYLIC ACID DIAMIDES AND THE USE THEREOF FOR SELECTIVELY INHIBITING COLLAGENASES DPYD, MMP13, MMP2 ALDH1A1 220/4885MAPT 3588/4885L3MBTL1 4464/4885

“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.