SCHEMBL3707610

SCHEMBL3707610

O=[N+]([O-])c1c(NCc2ccccc2)cc(Cl)c2nonc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 12/20 0.61
▸ KMT2A Q03164 12/20 0.61
▸ MAPT P10636 7/20 0.61
▸ NPC1 O15118 6/20 0.61
▸ TLR9 Q9NR96 6/20 0.61
▸ RAB9A P51151 5/20 0.61
▸ HTT P42858 5/20 0.61
▸ ALDH1A1 P00352 4/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ OPRK1 P41145 3/20 0.61
▸ MAPK1 P28482 3/20 0.61
▸ NPSR1 Q6W5P4 3/20 0.61
▸ POLB P06746 3/20 0.61
▸ OPRD1 P41143 2/20 0.61
▸ GPR55 Q9Y2T6 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ CASP6 P55212 2/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ TDP2 O95551 1/20 0.60

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
SCHEMBL15356718 0.85 MEN1 (0.59) MEN1KMT2AMAPTNPC1TLR9
SCHEMBL286617 0.80 POLB (0.69) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL13401763 0.79 MAPT (0.65) MEN1KMT2AMAPTNPC1TLR9
SCHEMBL13401768 0.75 MEN1 (1.00) MEN1KMT2AMAPTNPC1TLR9
SCHEMBL443977 0.74 MEN1 (1.00) MEN1KMT2AHTTALDH1A1POLB
SCHEMBL16486521 0.74 MAPT (0.49) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL15740106 0.73 ARNT (0.72) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL2571520 0.72 MAPT (0.52) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL13436799 0.72 MAPT (0.70) MEN1KMT2AMAPTNPC1TLR9
SCHEMBL5708771 0.72 NPC1 (0.73) MEN1KMT2AMAPTNPC1TLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013163454-A2 PSYLLID ATTRACTANTS AND THEIR USES INSCENT, INC. (US) 2013-10-31 — — WO claimed
US-20120122896-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2012-05-17 — — US claimed
WO-2013163454-A2 PSYLLID ATTRACTANTS AND THEIR USES INSCENT, INC. (US) 2013-10-31 — — WO disclosed
US-20130287727-A1 Psyllid Attractants and Their Uses INSCENT, INC. (US) 2013-10-31 — — 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 (2 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-20120122896-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION TENT4B, IRF3, MAVS MEN1 4597/4885KMT2A 1674/4885MAPT 4682/4885
US-20130287727-A1 Psyllid Attractants and Their Uses L3MBTL3, LPAR3, LPXN MEN1 4287/4885KMT2A 1612/4885MAPT 2211/4885

“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.

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