SCHEMBL2431422

SCHEMBL2431422

O=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASR P41180 10/20 0.69
CNR1 P21554 2/20 0.67
CNR2 P34972 1/20 0.67
POLB P06746 1/20 0.59
HTT P42858 1/20 0.59
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 1/20 0.53
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL2430638 0.86 CASR (0.67) CASRCNR1CNR2POLBHTT
SCHEMBL2433648 0.82 CASR (1.00) CASRCNR1CNR2
SCHEMBL15308418 0.81 MEN1 (0.78) CNR1POLBHTTMEN1KMT2A
SCHEMBL26804129 0.81 SLC6A3 (0.71) CNR1POLBHTTMEN1KMT2A
SCHEMBL2428795 0.81 CASR (0.76) CASRCNR1CNR2MEN1KMT2A
SCHEMBL2430546 0.81 CASR (0.76) CASRCNR1CNR2HTTMEN1
SCHEMBL2433839 0.81 CASR (1.00) CASRCNR1CNR2HTTMEN1
SCHEMBL2430084 0.81 CASR (1.00) CASRCNR1CNR2MEN1KMT2A
SCHEMBL15306494 0.81 ALDH1A1 (0.58) POLBHTTMEN1KMT2AMAPT
SCHEMBL27182713 0.79 POLB (0.66) CNR1POLBHTTMEN1KMT2A

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
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
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 2/4885CNR1 94/4885CNR2 179/4885

“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.