SCHEMBL874077

SCHEMBL874077

Cc1ccc2c(cnn[n+]2[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.38
CYP2A6 P11509 3/20 0.38
TDP1 Q9NUW8 1/20 0.33
NCK1 P16333 1/20 0.32
BACE1 P56817 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 1/20 0.31
NQO2 P16083 1/20 0.31

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
SCHEMBL8541719 0.74 CYP1A2 (0.38) CYP1A2CYP2A6TDP1NCK1BACE1
SCHEMBL31216375 0.74 CYP1A2 (0.38) CYP1A2CYP2A6TDP1NCK1BACE1
SCHEMBL2616769 0.66 CYP1A2 (0.60) CYP1A2CYP2A6TDP1NCK1BACE1
SCHEMBL8350086 0.64 CYP2A6 (0.44) CYP1A2CYP2A6TDP1NCK1BACE1
SCHEMBL9724136 0.63 CYP2A6 (0.48) CYP1A2CYP2A6TDP1NCK1BACE1
SCHEMBL14344241 0.62 KMT2A (0.46) CYP1A2CYP2A6TDP1ALDH1A1KDM4E
SCHEMBL3282710 0.62 KMT2A (0.37) CYP1A2ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL5460331 0.61 ALDH1A1 (0.37) CYP1A2CYP2A6TDP1ALDH1A1KDM4E
SCHEMBL5451536 0.61 KDM4E (0.38) CYP1A2CYP2A6TDP1ALDH1A1KDM4E
SCHEMBL12355607 0.60 CYP1A2 (0.30) CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2014-05-29 US disclosed
EP-2619179-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
EP-2619185-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038944-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed
WO-2012038942-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO 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-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP12, MMP10 CYP1A2 2322/4885CYP2A6 1699/4885TDP1 4089/4885

“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.