SCHEMBL4604673

SCHEMBL4604673

COC(=O)c1cc(-c2nnnn2C)cc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.45
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 2/20 0.42
LMNA P02545 2/20 0.42
AHR P35869 1/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 3/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL583822 0.88 NPC1 (0.55) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL4605870 0.87 SMN1; SMN2 (0.38) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL4604452 0.86 SMN1; SMN2 (0.43) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL4604051 0.85 ALDH1A1 (0.42) MEN1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL8413415 0.80 HTT (0.56) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL4606149 0.80 ATAD2 (0.51) KMT2AMAPTHTTSMN1; SMN2GAA
SCHEMBL1740624 0.79 TSHR (0.50) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL4606507 0.79 SMN1; SMN2 (0.43) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL584214 0.77 SMN1; SMN2 (0.46) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL13225987 0.77 SMN1; SMN2 (0.46) MEN1KMT2AMAPTHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306067-A1 Modulators of Chemokine Receptor Activity WEIGAND KLAUS 2008-12-11 US disclosed
EP-1943235-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Novartis AG (CH) 2008-07-16 EP disclosed
WO-2007048771-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY NOVARTIS AG (CH) 2007-05-03 WO disclosed
US-20060069128-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity DUNCIA JOHN V 2006-03-30 US disclosed
US-6992091-B2 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-31 US disclosed
EP-1545524-A2 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY. Bristol-Myers Squibb Company (US) 2005-06-29 EP disclosed
US-20040082616-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-04-29 US disclosed
WO-2004024682-A2 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY. BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-25 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 (3 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-20080306067-A1 Modulators of Chemokine Receptor Activity CCR3, CCR1, CCR4 MEN1 4873/4885KMT2A 4826/4885MAPT 4557/4885
US-20060069128-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity ACKR3, CCL11, CCR2 MEN1 4841/4885KMT2A 3851/4885MAPT 4436/4885
US-20040082616-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity ACKR3, CCL11, CCR2 MEN1 4841/4885KMT2A 3851/4885MAPT 4436/4885

“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.