SCHEMBL4083303

SCHEMBL4083303

O=[N+]([O-])c1ccc(Cn2c(Cl)nc3ccccc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 5/20 0.62
TBXA2R P21731 1/20 0.57
P2RX4 Q99571 1/20 0.57
KMT2A Q03164 2/20 0.52
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GSK3B P49841 1/20 0.51
CXCR3 P49682 2/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 1/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TNF P01375 1/20 0.49
CXCL8 P10145 1/20 0.49
SOS1 Q07889 1/20 0.49
NOD2 Q9HC29 1/20 0.49
NOD1 Q9Y239 1/20 0.49
GALR3 O60755 1/20 0.49

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
SCHEMBL23362172 0.85 NOD1 (0.66) CFTRTBXA2RP2RX4KMT2AMAPT
SCHEMBL28377078 0.84 CFTR (0.67) CFTRTBXA2RP2RX4MAPTL3MBTL1
SCHEMBL10575397 0.84 KMT2A (0.68) CFTRTBXA2RP2RX4KMT2AMAPT
SCHEMBL10575434 0.83 VDR (0.63) CFTRTBXA2RP2RX4KMT2AMAPT
SCHEMBL10572147 0.83 TBXA2R (0.66) CFTRTBXA2RP2RX4KMT2AMAPT
SCHEMBL17833366 0.82 GSK3B (0.51) CFTRTBXA2RP2RX4MAPTGSK3B
SCHEMBL28385438 0.82 CFTR (0.58) CFTRTBXA2RP2RX4KMT2AMAPT
SCHEMBL4097969 0.81 NOD1 (0.71) TBXA2RKMT2AMAPTLMNARAB9A
SCHEMBL1169953 0.80 LMNA (0.70) CFTRTBXA2RKMT2AMAPTL3MBTL1
SCHEMBL29412087 0.80 CFTR (0.72) CFTRTBXA2RMAPTL3MBTL1HPGD

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-20090062317-A1 MEDICINAL USE OF RECEPTOR LIGANDS 7TM PHARMA A/S (DK) 2009-03-05 US disclosed
EP-1778670-A2 MEDICINAL USE OF RECEPTOR LIGANDS 7TM Pharma A/S (DK) 2007-05-02 EP disclosed
WO-2006010446-A2 MEDICINAL USE OF RECEPTOR LIGANDS 7TM PHARMA A/S (DK) 2006-02-02 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-20090062317-A1 MEDICINAL USE OF RECEPTOR LIGANDS MCHR1, MCHR2, MC1R CFTR 1980/4885TBXA2R 451/4885P2RX4 2544/4885

“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.