SCHEMBL3668843

SCHEMBL3668843

O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1cc(Cl)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 3/20 0.64
CXCR2 P25025 3/20 0.64
KMT2A Q03164 9/20 0.61
MEN1 O00255 8/20 0.61
TDP1 Q9NUW8 2/20 0.61
HDAC6 Q9UBN7 1/20 0.61
MAPT P10636 6/20 0.58
HTT P42858 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
MAPK1 P28482 2/20 0.58
AURKA O14965 1/20 0.58
PDPK1 O15530 1/20 0.58
JAK2 O60674 1/20 0.58
GMNN O75496 1/20 0.58
ALDH1A1 P00352 1/20 0.58
EGFR P00533 1/20 0.58
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.58

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
SCHEMBL5605030 0.91 CXCR1 (0.62) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL5594945 0.89 KMT2A (0.65) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL5595104 0.87 CXCR1 (0.80) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL3678982 0.85 MEN1 (0.67) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL1462371 0.83 P2RX1 (0.68) CXCR1CXCR2KMT2AMEN1MAPT
SCHEMBL28457684 0.83 KMT2A (0.83) KMT2AMEN1TDP1MAPTHTT
SCHEMBL3706835 0.82 KMT2A (0.74) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL6820181 0.82 KMT2A (0.59) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL4925782 0.82 CXCR1 (0.61) CXCR1CXCR2KMT2AMEN1TDP1
SCHEMBL5595106 0.81 KMT2A (0.69) CXCR1CXCR2KMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234349-A1 PHARMACEUTICAL COMBINATIONS OF A NICOTINE RECEPTOR MODULATOR AND A COGNITIVE ENHANCER NEUROSEARCH A/S (DK) 2010-09-16 US claimed
US-20070142450-A1 Novel urea derivatives and their medical use NEUROSEARCH A/S (DK) 2007-06-21 US claimed
EP-2255848-A2 Pharmaceutical combinations of a nicotine receptor modulator and a cognitive enhancer NeuroSearch AS (DK) 2010-12-01 EP disclosed
US-20070142450-A1 Novel urea derivatives and their medical use NEUROSEARCH A/S (DK) 2007-06-21 US disclosed
US-20070142450-A1 Novel urea derivatives and their medical use NEUROSEARCH A/S (DK) 2007-06-21 US disclosed
US-20070142450-A1 Novel urea derivatives and their medical use NEUROSEARCH A/S (DK) 2007-06-21 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 (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-20100234349-A1 PHARMACEUTICAL COMBINATIONS OF A NICOTINE RECEPTOR MODULATOR AND A COGNITIVE ENHANCER CHRNA10, CHRNA4, CHRNA5 CXCR1 3154/4885CXCR2 3271/4885KMT2A 716/4885
US-20070142450-A1 Novel urea derivatives and their medical use ACHE, NMUR1, NMUR2 CXCR1 1314/4885CXCR2 1517/4885KMT2A 2607/4885

“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.