SCHEMBL4491795

SCHEMBL4491795

O=[N+]([O-])Nc1ccc2nc(Cl)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.41
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
MAPT P10636 5/20 0.36
PLAU P00749 2/20 0.35
FGFR4 P22455 2/20 0.33
RPS6KB2 Q9UBS0 2/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR3 P22607 1/20 0.33
GUCY1B2 O75343 1/20 0.33
GUCY1A2 P33402 1/20 0.33
GUCY1A1 Q02108 1/20 0.33
GUCY1B1 Q02153 1/20 0.33
RAB9A P51151 3/20 0.32

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
SCHEMBL29659762 0.75 ALDH1A1 (0.51) MAPTRAB9ANPC1ALDH1A1TDP1
SCHEMBL516896 0.75 ALDH1A1 (0.51) MAPTRAB9ANPC1ALDH1A1TDP1
SCHEMBL28211181 0.74 MAPT (0.48) MAPTRAB9ANPC1ALDH1A1NPSR1
SCHEMBL24803121 0.74 EGFR (0.47) NMT1MAPTPLAURAB9ANPC1
SCHEMBL5959990 0.73 NMT1 (0.40) NMT1MAPTPLAURAB9ANPC1
SCHEMBL12527185 0.72 NMT1 (0.39) NMT1MAPTPLAURAB9ANPC1
SCHEMBL562935 0.71 S1PR2 (0.47) MAPTALDH1A1CHRNB2CHRNA4SMN1; SMN2
SCHEMBL13594195 0.71 KDM4E (0.63) MAPTPLAURAB9ANPC1ALDH1A1
SCHEMBL3736841 0.70 SMARCA2 (0.49) MAPTTDP1CHRNB2CHRNA4HTT
SCHEMBL6201889 0.70 HSD17B10 (0.50) MAPTRAB9ANPC1ALDH1A1TDP1

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-7485647-B2 2-aminoquinoline derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-02-03 US disclosed
US-20060287340-A1 2-Aminoquinoline derivatives MSD K.K. (JP) 2006-12-21 US disclosed
EP-1630162-A1 2-AMINOQUINOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-03-01 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-20060287340-A1 2-Aminoquinoline derivatives MCHR2, MC2R, MCHR1 NMT1 3599/4885GRIN2D 422/4885GRIN3B 403/4885

“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.