SCHEMBL6480080

SCHEMBL6480080

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPT P10636 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KMO O15229 9/20 0.42
KDM4A O75164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
HPGD P15428 3/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6480081 0.93 ALDH1A1 (0.59) ALDH1A1MAPTL3MBTL1KDM4ASMN1; SMN2
SCHEMBL9731199 0.85 ALDH1A1 (0.40) ALDH1A1MAPTL3MBTL1KMOKDM4E
SCHEMBL9730983 0.81 HCAR2 (0.41) ALDH1A1MAPTL3MBTL1KDM4ETDP1
SCHEMBL9731016 0.79 HCAR2 (0.40) ALDH1A1KMOHPGDKDM4E
SCHEMBL9731397 0.78 NTRK2 (0.41) KMO
SCHEMBL71141 0.78 KMO (0.59) ALDH1A1MAPTKMOKDM4ASMN1; SMN2
SCHEMBL9732419 0.78 KMO (0.36) ALDH1A1MAPTL3MBTL1KMOKDM4E
SCHEMBL9731204 0.77 ALDH1A1 (0.44) ALDH1A1MAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL6488871 0.77 CFTR (0.49) ALDH1A1MAPTL3MBTL1KMOSMN1; SMN2
SCHEMBL9731176 0.77 HCAR2 (0.38) KMOMAPK1

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.