SCHEMBL441388

SCHEMBL441388

[CH2]CCCOc1cccc([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.64
CHRNA4 P43681 2/20 0.64
LMNA P02545 2/20 0.52
HPGD P15428 2/20 0.52
LTA4H P09960 1/20 0.50
PTGS2 P35354 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
GRM5 P41594 1/20 0.49
MAOB P27338 1/20 0.49
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL3024102 0.95 CHRNB2 (0.62) CHRNB2CHRNA4LMNAHPGDLTA4H
SCHEMBL8778512 0.94 CHRNB2 (0.61) CHRNB2CHRNA4LMNAHPGDLTA4H
SCHEMBL7468554 0.94 CHRNB2 (0.61) CHRNB2CHRNA4LMNAHPGDLTA4H
SCHEMBL73974 0.92 CHRNB2 (0.66) CHRNB2CHRNA4LMNAHPGDLTA4H
SCHEMBL14028449 0.88 CHRNB2 (0.69) CHRNB2CHRNA4LMNAHPGDLTA4H
SCHEMBL15498199 0.88 CHRNB2 (0.73) CHRNB2CHRNA4LMNAHPGDLTA4H
SCHEMBL3975841 0.85 CHRNB2 (0.66) CHRNB2CHRNA4LMNAHPGDLTA4H
SCHEMBL536135 0.85 CHRNB2 (0.60) CHRNB2CHRNA4LMNATSHRGRM5
SCHEMBL3977089 0.84 CHRNB2 (0.64) CHRNB2CHRNA4LMNAHPGDLTA4H
SCHEMBL8901225 0.84 CHRNB2 (0.64) CHRNB2CHRNA4LMNAHPGDLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824856-B1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2013-10-23 EP disclosed
US-8394955-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed
US-8148388-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-04-03 US disclosed
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2012-03-15 US disclosed
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 US disclosed
EP-1824856-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-29 EP disclosed
WO-2006061415-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-15 WO 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-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR0B1, NR1H3, NCOA3 CHRNB2 304/4885CHRNA4 123/4885LMNA 2533/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 CHRNB2 286/4885CHRNA4 140/4885LMNA 2639/4885

“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.