SCHEMBL10026686

SCHEMBL10026686

O=C(NO)c1ccc(C(=O)N/N=C/c2cccc(Br)c2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.86
TDP1 Q9NUW8 3/20 0.86
PLEC Q15149 1/20 0.86
CTDSP1 Q9GZU7 1/20 0.86
RAB9A P51151 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
HDAC8 Q9BY41 3/20 0.66
HDAC3 O15379 1/20 0.66
HDAC2 Q92769 1/20 0.66
NCOR2 Q9Y618 1/20 0.66
HDAC6 Q9UBN7 2/20 0.65
DUSP3 P51452 2/20 0.63
PTPN5 P54829 2/20 0.63
PTPN11 Q06124 2/20 0.63
MAPT P10636 4/20 0.62
LMNA P02545 1/20 0.62
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C9 P11712 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
SCHEMBL17825555 0.90 POLB (0.84) POLBTDP1PLECCTDSP1RAB9A
SCHEMBL17825558 0.90 POLB (0.84) POLBTDP1PLECCTDSP1RAB9A
SCHEMBL13475715 0.90 POLB (0.84) POLBTDP1PLECCTDSP1RAB9A
SCHEMBL25419990 0.89 HDAC8 (0.71) POLBTDP1PLECCTDSP1RAB9A
SCHEMBL22925052 0.89 POLB (0.82) POLBTDP1PLECCTDSP1RAB9A
SCHEMBL25419989 0.89 HDAC8 (0.71) POLBTDP1PLECCTDSP1RAB9A
SCHEMBL11983704 0.87 POLB (0.74) POLBTDP1PLECCTDSP1RAB9A
SCHEMBL12443154 0.86 POLB (0.78) POLBTDP1PLECCTDSP1RAB9A
SCHEMBL18539779 0.84 RAB9A (0.82) POLBTDP1PLECCTDSP1RAB9A
SCHEMBL15850942 0.82 POLB (0.80) POLBTDP1PLECCTDSP1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170049793-A1 MOLECULAR ACTIVATORS OF THE WNT/BETA-CATENIN PATHWAY THE GENERAL HOSPITAL CORPORATION (US) 2017-02-23 US disclosed
US-20140187510-A1 MOLECULAR ACTIVATORS OF THE WNT/BETA-CATENIN PATHWAY THE GENERAL HOSPITAL CORPORATION (US) 2014-07-03 US disclosed
US-20140187510-A1 MOLECULAR ACTIVATORS OF THE WNT/BETA-CATENIN PATHWAY THE GENERAL HOSPITAL CORPORATION (US) 2014-07-03 US disclosed
US-20120046242-A1 MOLECULAR ACTIVATORS OF THE WNT/BETA-CATENIN PATHWAY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-02-23 US disclosed
US-20120046242-A1 MOLECULAR ACTIVATORS OF THE WNT/BETA-CATENIN PATHWAY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-02-23 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 (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-20120046242-A1 MOLECULAR ACTIVATORS OF THE WNT/BETA-CATENIN PATHWAY WNT1, CTNNB1, WNT3A POLB 2990/4885TDP1 4818/4885PLEC 2248/4885
US-20140187510-A1 MOLECULAR ACTIVATORS OF THE WNT/BETA-CATENIN PATHWAY WNT1, CTNNB1, WNT3A POLB 2990/4885TDP1 4818/4885PLEC 2248/4885
US-20170049793-A1 MOLECULAR ACTIVATORS OF THE WNT/BETA-CATENIN PATHWAY WNT1, CTNNB1, WNT3A POLB 2990/4885TDP1 4818/4885PLEC 2248/4885

“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.