SCHEMBL5696368

SCHEMBL5696368

N#Cc1ccc2cc(O)c(C#N)cc2c1.[Na]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.42
IMPDH1 P20839 1/20 0.42
PTPN1 P18031 2/20 0.39
PTPN2 P17706 1/20 0.39
CA9 Q16790 2/20 0.39
MIF P14174 1/20 0.39
PTPN11 Q06124 1/20 0.39
CA2 P00918 4/20 0.39
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA14 Q9ULX7 1/20 0.39
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
KLKB1 P03952 1/20 0.39
PRSS1 P07477 1/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
CYP17A1 P05093 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
SCHEMBL5695621 0.98 IMPDH2 (0.43) IMPDH2IMPDH1PTPN1PTPN2CA9
SCHEMBL5696365 0.96 IMPDH2 (0.42) IMPDH2IMPDH1PTPN1PTPN2CA9
SCHEMBL28274538 0.84 IMPDH2 (0.50) IMPDH2IMPDH1PTPN1PTPN2CA2
SCHEMBL4353382 0.78 CA1 (0.53) CA2CA1KDM4ETSHRHTT
SCHEMBL13074509 0.77 CYP2A6 (0.50) IMPDH2IMPDH1PTPN1PTPN2CA9
SCHEMBL1344485 0.77 CYP2A6 (0.54) IMPDH2IMPDH1PTPN1PTPN2CA9
SCHEMBL29489119 0.77 CYP2A6 (0.54) IMPDH2IMPDH1PTPN1PTPN2CA9
SCHEMBL3027689 0.76 CA12 (0.48) IMPDH2IMPDH1CA9PTPN11CA2
SCHEMBL2635720 0.76 CA12 (0.48) IMPDH2IMPDH1CA9PTPN11CA2
SCHEMBL29489123 0.75 CYP2A6 (0.52) IMPDH2IMPDH1PTPN1PTPN2CA9

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-20060205952-A1 Aminocarbonyl naphthol derivative, cyanonaphthol derivative, and method for producing them KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 2006-09-14 US disclosed
EP-1652837-A1 AMINOCARBONYL NAPHTHOL DERIVATIVE, CYANONAPHTHOL DERIVATIVE, AND METHOD FOR PRODUCING THEM Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 2006-05-03 EP 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-20060205952-A1 Aminocarbonyl naphthol derivative, cyanonaphthol derivative, and method for producing them HCCS, CYP8B1, NCAPD3 IMPDH2 697/4885IMPDH1 845/4885PTPN1 2591/4885

“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.