SCHEMBL6488871

SCHEMBL6488871

O=C(O)c1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)ncn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.49
MMP13 P45452 2/20 0.49
KMO O15229 2/20 0.49
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PIN1 Q13526 1/20 0.44
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL6488874 0.95 MMP13 (0.53) CFTRMMP13TSHRTDP1KDM4E
SCHEMBL5210601 0.79 KDM4E (0.56) CFTRTSHRTDP1KDM4EKMT2A
SCHEMBL5210605 0.77 CFTR (0.55) CFTRTSHRTDP1KDM4EKMT2A
SCHEMBL6480080 0.77 ALDH1A1 (0.53) KMOTDP1KDM4EL3MBTL1ALDH1A1
SCHEMBL16209003 0.76 ALDH1A1 (0.54) CFTRTSHRTDP1KDM4EKMT2A
SCHEMBL6870340 0.76 OPRK1 (0.57) CFTRTSHRTDP1KDM4EKMT2A
SCHEMBL549204 0.74 LPAR1 (0.45) CFTRMMP13TDP1KDM4EKMT2A
SCHEMBL9731397 0.73 NTRK2 (0.41) MMP13KMO
SCHEMBL71141 0.73 KMO (0.59) KMOTSHRKDM4EALDH1A1MAPT
SCHEMBL15692554 0.72 MMP13 (0.91) MMP13KDM4EKMT2AALDH1A1SMN1; SMN2

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 CFTR 3184/4885MMP13 2/4885KMO 542/4885

“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.