SCHEMBL4605510

SCHEMBL4605510

C=Cc1cc(-c2nnnn2C)cc([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.38
CHEK1 O14757 1/20 0.37
DAPK3 O43293 1/20 0.37
GRK5 P34947 1/20 0.37
LIMK1 P53667 1/20 0.37
PKM P14618 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 3/20 0.35
MAPT P10636 3/20 0.35
MITF O75030 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP19A1 P11511 1/20 0.35
ALDH1A1 P00352 5/20 0.34
PIP4K2C Q8TBX8 2/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32

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
SCHEMBL1740624 0.82 TSHR (0.50) SMN1; SMN2LMNACHEK1DAPK3GRK5
SCHEMBL13225987 0.80 SMN1; SMN2 (0.46) SMN1; SMN2LMNACHEK1DAPK3GRK5
SCHEMBL584214 0.80 SMN1; SMN2 (0.46) SMN1; SMN2LMNACHEK1DAPK3GRK5
SCHEMBL4606332 0.77 SMN1; SMN2 (0.51) SMN1; SMN2LMNAPKMNPC1HTT
SCHEMBL4604452 0.76 SMN1; SMN2 (0.43) SMN1; SMN2LMNACHEK1DAPK3GRK5
SCHEMBL13225981 0.76 SMN1; SMN2 (0.43) SMN1; SMN2LMNACHEK1DAPK3GRK5
SCHEMBL4606507 0.76 SMN1; SMN2 (0.43) SMN1; SMN2LMNACHEK1DAPK3GRK5
SCHEMBL3505658 0.75 SMN1; SMN2 (0.42) SMN1; SMN2LMNACHEK1DAPK3GRK5
SCHEMBL4429016 0.75 KEAP1 (0.53) SMN1; SMN2LMNAPKMNPC1HTT
SCHEMBL1674067 0.74 PTGS2 (0.57) SMN1; SMN2LMNAPKMHTTMAPT

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682105-A4 N-UREIDOALKYL-AMINO COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2008-12-24 EP disclosed
US-20080306067-A1 Modulators of Chemokine Receptor Activity WEIGAND KLAUS 2008-12-11 US disclosed
CN-101296911-A Arylurea derivatives as modulators of chemokine receptor activity NOVARTIS AG (CH) 2008-10-29 CN disclosed
EP-1943235-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Novartis AG (CH) 2008-07-16 EP disclosed
US-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-7230022-B2 Substituted fused bicyclic amines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-12 US disclosed
WO-2007048771-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY NOVARTIS AG (CH) 2007-05-03 WO disclosed
EP-1682105-A2 N-UREIDOALKYL-AMINO COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-26 EP disclosed
US-20050197373-A1 Substituted fused bicyclic amines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-09-08 US disclosed
WO-2005079497-A2 SUBSTITUTED FUSED BICYCLIC AMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-01 WO disclosed
US-6919356-B2 N-substituted heterocyclic amines as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB COMPANY (US) 2005-07-19 US disclosed
US-20050153970-A1 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-07-14 US disclosed
EP-1545524-A2 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY. Bristol-Myers Squibb Company (US) 2005-06-29 EP disclosed
WO-2005048932-A2 N-UREIDOALKYL-AMINO COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-02 WO disclosed
US-20040082616-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-04-29 US disclosed
WO-2004028530-A1 N-SUBSTITUTED HETEROCYCLIC AMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-08 WO disclosed
US-20040067935-A1 N-substituted heterocyclic amines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-04-08 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 (5 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 SMN1; SMN2 4305/4885LMNA 4075/4885CHEK1 3687/4885
US-20050153970-A1 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity ACKR3, CCL11, GPR17 SMN1; SMN2 4524/4885LMNA 4507/4885CHEK1 4537/4885
US-20040082616-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity ACKR3, CCL11, CCR2 SMN1; SMN2 4237/4885LMNA 4339/4885CHEK1 4557/4885
US-20050197373-A1 Substituted fused bicyclic amines as modulators of chemokine receptor activity CCR3, CCR1, CCR2 SMN1; SMN2 4503/4885LMNA 3007/4885CHEK1 2057/4885
US-20040067935-A1 N-substituted heterocyclic amines as modulators of chemokine receptor activity CCL11, ACKR3, CCR7 SMN1; SMN2 3840/4885LMNA 4440/4885CHEK1 4213/4885

“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.