SCHEMBL3027901

SCHEMBL3027901

Cc1ccc([N+](=O)[O-])c(Oc2cccc3ccccc23)c1F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.50
ALDH1A1 P00352 3/20 0.49
HSPB1 P04792 1/20 0.45
MAPT P10636 5/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
RECQL P46063 1/20 0.44
TSHR P16473 1/20 0.44
PTGES O14684 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
ALOX5 P09917 2/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPRT1 P00492 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL3035330 0.87 ALDH1A1 (0.51) PIN1ALDH1A1HSPB1MAPTLMNA
SCHEMBL10422427 0.82 ALDH1A1 (0.68) PIN1ALDH1A1HSPB1MAPTLMNA
SCHEMBL3033563 0.79 TDP1 (0.44) PIN1ALDH1A1HSPB1MAPTLMNA
SCHEMBL3032786 0.78 MEN1 (0.43) PIN1ALDH1A1HSPB1MAPTLMNA
SCHEMBL3033179 0.77 KDM4E (0.44) ALDH1A1MAPTTSHRKDM4EGAA
SCHEMBL3036665 0.77 HPGD (0.44) PIN1ALDH1A1TSHRKDM4EGAA
SCHEMBL3023941 0.76 PIN1 (0.41) PIN1ALDH1A1HSPB1MAPTLMNA
SCHEMBL3023944 0.76 PIN1 (0.40) PIN1ALDH1A1HSPB1MAPTLMNA
SCHEMBL80618 0.75 PIN1 (0.53) PIN1ALDH1A1MAPTLMNAHTT
SCHEMBL20222275 0.74 ALDH1A1 (0.65) PIN1ALDH1A1MAPTLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
EP-2166856-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2010-03-31 EP disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 PIN1 366/4885ALDH1A1 348/4885HSPB1 4391/4885

“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.