SCHEMBL2430638

SCHEMBL2430638

O=C(NCCC(c1ccccc1)c1ccccc1)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 8/20 0.67
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
MAPT P10636 2/20 0.62
DDX3X O00571 1/20 0.62
POLB P06746 1/20 0.62
HTT P42858 1/20 0.62
CTDSP1 Q9GZU7 1/20 0.62
ALDH1A1 P00352 3/20 0.57
PKM P14618 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CNR1 P21554 1/20 0.56
CNR2 P34972 1/20 0.56
GAA P10253 2/20 0.56

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
SCHEMBL2431422 0.86 CASR (0.69) CASRMEN1KMT2AMAPTPOLB
SCHEMBL6297225 0.81 MEN1 (0.70) MEN1KMT2AMAPTDDX3XPOLB
SCHEMBL2431141 0.81 CASR (1.00) CASRMEN1KMT2AMAPTHTT
SCHEMBL6129390 0.80 MEN1 (0.90) MEN1KMT2AMAPTDDX3XPOLB
SCHEMBL27941581 0.80 SMN1; SMN2 (0.69) MEN1KMT2AMAPTDDX3XPOLB
SCHEMBL2431701 0.80 CASR (1.00) CASRALDH1A1
SCHEMBL2435621 0.80 CASR (1.00) CASRMEN1KMT2AMAPTHTT
SCHEMBL7414909 0.80 MEN1 (0.79) MEN1KMT2AMAPTDDX3XPOLB
SCHEMBL5111614 0.79 MEN1 (0.72) MEN1KMT2AMAPTDDX3XPOLB
SCHEMBL2432617 0.79 CASR (0.72) CASRMEN1KMT2AMAPTHTT

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
EP-2366698-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor Galapagos SAS (FR) 2011-09-21 EP disclosed
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 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-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor UTS2R, CASR, GPR17 CASR 2/4885MEN1 2770/4885KMT2A 4672/4885

“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.