SCHEMBL6017795

SCHEMBL6017795

Cc1ccc(CNC(=O)c2nc(-c3ccccc3)n(C)c(=O)c2O)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.50
MMP7 P09237 3/20 0.50
MMP9 P14780 3/20 0.50
MMP8 P22894 3/20 0.50
MMP13 P45452 3/20 0.50
LIPG Q9Y5X9 1/20 0.47
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
MMP3 P08254 2/20 0.43
MMP12 P39900 2/20 0.43
MMP2 P08253 1/20 0.43
KCNE1 P15382 1/20 0.42
CCR1 P32246 1/20 0.42
KCNQ1 P51787 1/20 0.42
EGLN1 Q9GZT9 3/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6017692 0.91 MMP1 (0.47) MMP1MMP7MMP9MMP8MMP13
SCHEMBL6017674 0.90 SMN1; SMN2 (0.42) MMP1MMP7MMP9MMP8MMP13
SCHEMBL6018457 0.90 EGLN1 (0.47) MMP1MMP7MMP9MMP8MMP13
SCHEMBL14173471 0.89 MMP1 (0.50) MMP1MMP7MMP9MMP8MMP13
SCHEMBL6017840 0.89 ALDH1A1 (0.55) MMP1MMP7MMP9MMP8MMP13
SCHEMBL6017668 0.88 MEN1 (0.47) MMP13ALDH1A1POLBMEN1KMT2A
SCHEMBL6018601 0.88 TP53 (0.51) ALDH1A1POLBMMP3MEN1KMT2A
SCHEMBL6018056 0.87 CNR1 (0.51) MMP1MMP7MMP9MMP8MMP13
SCHEMBL6017765 0.87 ALDH1A1 (0.41) MMP1MMP7MMP9MMP8MMP13
SCHEMBL6017760 0.86 SMN1; SMN2 (0.57) MMP1MMP7MMP9MMP8MMP13

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-7037908-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-02 US disclosed
US-20040229892-A1 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex BRISTOL-MYERS SQUIBB COMPANY 2004-11-18 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-20040229892-A1 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex DUT, CDK6, TYMS MMP1 4687/4885MMP7 4205/4885MMP9 3894/4885

“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.