SCHEMBL1069365

SCHEMBL1069365

CCc1cc(I)cc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 3/20 0.42
CYP19A1 P11511 1/20 0.40
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 2/20 0.36
NPBWR1 P48145 1/20 0.35
GAA P10253 1/20 0.35
GALR3 O60755 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL9570744 0.86 HTT (0.57) HTTPOLBMEN1KMT2ALMNA
SCHEMBL5495288 0.86 HTT (0.57) HTTPOLBMEN1KMT2ALMNA
SCHEMBL8019517 0.81 MEN1 (0.47) HTTPOLBMEN1KMT2ALMNA
SCHEMBL8019528 0.81 HTT (0.42) HTTPOLBMEN1KMT2ALMNA
SCHEMBL309438 0.79 CYP19A1 (0.62) HTTPOLBMEN1KMT2ALMNA
SCHEMBL222935 0.79 LMNA (0.56) HTTPOLBMEN1KMT2ALMNA
SCHEMBL13598125 0.78 TSHR (0.65) HTTPOLBMEN1KMT2ALMNA
SCHEMBL18416742 0.77 HTT (0.48) HTTPOLBMEN1KMT2ALMNA
SCHEMBL7786787 0.77 HTT (0.58) HTTPOLBMEN1KMT2ALMNA
SCHEMBL8570170 0.77 HTT (0.48) HTTPOLBMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451285-B1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2016-01-13 EP disclosed
US-9029377-B2 Platelet-activating factor receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-05-12 US disclosed
US-9029377-B2 Platelet-activating factor receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-05-12 US disclosed
US-9029377-B2 Platelet-activating factor receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-05-12 US disclosed
EP-2451285-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2012-05-16 EP disclosed
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 US disclosed
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 US disclosed
WO-2011005608-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-01-13 WO disclosed
WO-2011005608-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-01-13 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-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS PTAFR, PAFAH1B2, PAFAH1B3 HTT 4340/4885POLB 4167/4885MEN1 4516/4885

“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.