SCHEMBL12872248

SCHEMBL12872248

O=[N+]([O-])c1ccc(Cn2cccc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
MAPT P10636 4/20 0.43
POLB P06746 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 3/20 0.42
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
ATM Q13315 2/20 0.42
ALOX12 P18054 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.41
AGTR1 P30556 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL3575551 0.76 MAPT (0.56) PKMMAPTALDH1A1NPBWR1MCHR1
SCHEMBL31455781 0.76 MEN1 (0.55) PKMMAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL1835292 0.76 MEN1 (0.55) PKMMAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL15973849 0.75 NOS1 (0.55) PKMMAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL14399403 0.74 MAPT (0.45) PKMMAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL5905840 0.74 KMT2A (0.70) MAPTPOLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL15986775 0.74 MAPT (0.45) PKMMAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL4873349 0.74 MAPT (0.45) PKMMAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL5380629 0.74 CYP1A2 (0.47) PKMMAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL3096453 0.74 MAPT (0.45) PKMMAPTPOLBSMN1; SMN2ALDH1A1

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-7884242-B2 N1-(6-{[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-2-methylpyridin-3-yl)-3-chloro-N2-[(1S)-1-methyl-2-(methylthio)ethyl]phthalamide; pesticide; nematocide BAYER CROPSCIENCE AG (DE) 2011-02-08 US disclosed
US-20090023752-A1 N-Heterocyclylphthaldiamides as Insecticides BAYER CROPSCIENCE AG (DE) 2009-01-22 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-20090023752-A1 N-Heterocyclylphthaldiamides as Insecticides DDT, NQO2, NIT2 PKM 2479/4885MAPT 4220/4885POLB 3267/4885

“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.