SCHEMBL1302147

SCHEMBL1302147

O=Cc1ccc(OC(F)F)c(Oc2ccc([N+](=O)[O-])cc2Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.49
MAPT P10636 9/20 0.44
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
LMNA P02545 4/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 3/20 0.39
GLA P06280 1/20 0.39
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
XBP1 P17861 1/20 0.38
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 2/20 0.38
CYP19A1 P11511 1/20 0.38
PTGS2 P35354 1/20 0.38
HSPB1 P04792 2/20 0.36
DRD1 P21728 1/20 0.36
FBP1 P09467 1/20 0.36

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
SCHEMBL29408318 0.82 MAPT (0.48) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL855687 0.82 MAPT (0.48) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL7895387 0.81 TTR (0.62) TTRMAPTMEN1KMT2ALMNA
SCHEMBL4348680 0.81 TTR (0.46) TTRMAPTMEN1KMT2ALMNA
SCHEMBL5025160 0.78 ALDH1A1 (0.54) TTRMAPTMEN1KMT2ALMNA
SCHEMBL29683621 0.77 HSPB1 (0.49) TTRMAPTMEN1KMT2ALMNA
SCHEMBL2796536 0.76 DRD1 (0.36) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL29654951 0.76 DRD1 (0.49) MAPTALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL3466337 0.76 DRD1 (0.49) MAPTALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL5022771 0.74 ESRRA (0.49) TTRMAPTMEN1KMT2ALMNA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511150-B2 Synthesis of heterocyclic compounds FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-03-31 US claimed
WO-2008005955-A9 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FOREST LAB HOLDINGS LTD 2008-04-03 WO claimed
US-20080009632-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-01-10 US claimed
WO-2008005955-A2 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-01-10 WO claimed
US-8580795-B2 Heterocyclic compounds as phosphodiesterase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-11-12 US disclosed
US-8580795-B2 Heterocyclic compounds as phosphodiesterase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-11-12 US disclosed
US-8580795-B2 Heterocyclic compounds as phosphodiesterase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-11-12 US disclosed
US-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-11-03 US disclosed
US-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-11-03 US disclosed
US-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-11-03 US disclosed
EP-2379538-A2 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS Orchid Research Laboratories Limited (IN) 2011-10-26 EP disclosed
WO-2010084402-A2 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-07-29 WO disclosed
US-20090143593-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-06-04 US disclosed
US-20090143593-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-06-04 US disclosed
US-7511150-B2 Synthesis of heterocyclic compounds FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-03-31 US disclosed
US-7511150-B2 Synthesis of heterocyclic compounds FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-03-31 US disclosed
WO-2008005955-A9 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FOREST LAB HOLDINGS LTD 2008-04-03 WO disclosed
US-20080009632-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-01-10 US disclosed
WO-2008005955-A2 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-01-10 WO disclosed
US-20080009632-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-01-10 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-20090143593-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FDPS, DHPS, AADAC TTR 4113/4885MAPT 3548/4885MEN1 142/4885
US-20080009632-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FDPS, DHPS, AADAC TTR 4113/4885MAPT 3548/4885MEN1 142/4885
US-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE4C TTR 1457/4885MAPT 754/4885MEN1 3108/4885

“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.