SCHEMBL4603889

SCHEMBL4603889

CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.75
HPGD P15428 1/20 0.75
SMN1; SMN2 Q16637 3/20 0.68
RAB9A P51151 1/20 0.64
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
KDM4E B2RXH2 1/20 0.63
HTT P42858 1/20 0.63
POLB P06746 2/20 0.62
CRHBP P24387 1/20 0.61
CRHR2 Q13324 1/20 0.61
GAA P10253 3/20 0.60
CES2 O00748 1/20 0.60
CES1 P23141 1/20 0.60
MAPT P10636 1/20 0.60

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
SCHEMBL8544673 0.86 ALDH1A1 (0.72) ALDH1A1HPGDSMN1; SMN2RAB9AMEN1
SCHEMBL31216547 0.86 TSHR (0.68) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL11791030 0.86 MEN1 (0.69) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL7539576 0.85 POLB (0.81) SMN1; SMN2RAB9AMEN1KMT2AKDM4E
SCHEMBL4322620 0.84 SMN1; SMN2 (0.64) ALDH1A1HPGDSMN1; SMN2RAB9AMEN1
SCHEMBL16515689 0.84 KMT2A (0.68) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL655886 0.83 HTT (0.69) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL10355 0.82 KMT2A (0.69) ALDH1A1HPGDSMN1; SMN2RAB9AMEN1
SCHEMBL11060904 0.82 KMT2A (0.73) ALDH1A1HPGDRAB9AMEN1KMT2A
SCHEMBL7539578 0.81 SMN1; SMN2 (1.00) ALDH1A1HPGDSMN1; SMN2RAB9AMEN1

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
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

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-20080306067-A1 Modulators of Chemokine Receptor Activity CCR3, CCR1, CCR4 ALDH1A1 906/4885HPGD 388/4885SMN1; SMN2 4305/4885

“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.