SCHEMBL5835372

SCHEMBL5835372

NC(N)=[O+]On1nnc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
THPO P40225 1/20 0.46
CYP4Z1 Q86W10 1/20 0.46
SIRT2 Q8IXJ6 3/20 0.43
KMT2A Q03164 4/20 0.43
HDAC3 O15379 3/20 0.43
HDAC4 P56524 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43

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
SCHEMBL2107219 0.80 NPSR1 (0.45) TSHRNPSR1RXFP1POLBMAPK1
SCHEMBL1674865 0.75 NPSR1 (0.41) TSHRNPSR1RXFP1POLBMAPK1
SCHEMBL2458394 0.75 SIRT2 (0.58) TSHRNPSR1RXFP1POLBMAPK1
SCHEMBL21356606 0.75 DGAT1 (0.51) TSHRNPSR1RXFP1POLBMAPK1
SCHEMBL23920659 0.75 SIRT2 (0.51) TSHRNPSR1RXFP1POLBMAPK1
SCHEMBL8404027 0.74 TSHR (0.58) TSHRNPSR1RXFP1POLBMAPK1
SCHEMBL14010662 0.74 TSHR (0.58) TSHRNPSR1RXFP1POLBMAPK1
SCHEMBL736439 0.74 TSHR (0.61) TSHRNPSR1RXFP1POLBMAPK1
SCHEMBL29389351 0.74 TSHR (0.61) TSHRNPSR1RXFP1POLBMAPK1
SCHEMBL17110689 0.72 TSHR (0.59) TSHRNPSR1RXFP1POLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7112654-B2 Ligand for vascular endothelial growth factor receptor SUPRATEK PHARMA INC. (CA) 2006-09-26 US disclosed
US-20040266694-A1 Ligand for vascular endothelial growth factor receptor SUPRATEK PHARMA INC. (CA) 2004-12-30 US disclosed
US-6733755-B2 PEPTIDE LIGAND OR DERIVATIVES THEREOF THAT ARE CAPABLE OF INHIBITING ANGIOGENESIS INDUCED BY VEGF. SUPRATEK PHARMA, INC. (CA) 2004-05-11 US disclosed
US-6696274-B2 POLYPEPTIDES CAPABLE OF CROSSING THE SMALL INTESTINE OR BLOOD BRAIN BARRIER; BIOAVAILABILITY SUPRATEK PHARMA, INC. (CA) 2004-02-24 US disclosed
EP-1385873-A2 A LIGAND FOR ENHANCING ORAL AND CNS DELIVERY OF BIOLOGICAL AGENTS SUPRATEK PHARMA, INC. (CA) 2004-02-04 EP disclosed
US-20020137684-A1 Ligand for enhancing oral and CNS delivery of biological agents SUPRATEK PHARMA, INC. (CA) 2002-09-26 US disclosed
WO-2001090139-A2 A LIGAND FOR ENHANCING ORAL AND CNS DELIVERY OF BIOLOGICAL AGENTS SUPRATEK PHARMA INC. (US) 2001-11-29 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 (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-20040266694-A1 Ligand for vascular endothelial growth factor receptor FLT1, KDR, FLT4 TSHR 562/4885NPSR1 221/4885RXFP1 129/4885
US-20020137684-A1 Ligand for enhancing oral and CNS delivery of biological agents VIP, IGFBP6, GMFG TSHR 579/4885NPSR1 189/4885RXFP1 98/4885

“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.