SCHEMBL3632333

SCHEMBL3632333

O=C(Nc1ccc(OC(F)(F)F)c(Cl)c1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.54
KMT2A Q03164 9/20 0.54
MAPT P10636 8/20 0.54
GAA P10253 5/20 0.54
LMNA P02545 4/20 0.54
HTT P42858 3/20 0.54
NPSR1 Q6W5P4 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
RAB9A P51151 2/20 0.54
XBP1 P17861 1/20 0.54
CCR6 P51684 1/20 0.54
POLB P06746 1/20 0.50
PKM P14618 1/20 0.49
TP53 P04637 1/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
PNLIP P16233 1/20 0.47
ATM Q13315 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46

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
SCHEMBL4286884 0.85 MAPT (0.47) MEN1KMT2AMAPTGAALMNA
SCHEMBL10308063 0.84 MAPT (0.47) MEN1KMT2AMAPTGAALMNA
SCHEMBL2486782 0.83 POLB (0.70) MEN1KMT2AMAPTLMNAHTT
SCHEMBL31308883 0.82 MAPT (0.57) MEN1KMT2AMAPTGAALMNA
SCHEMBL13780774 0.82 MAPT (0.57) MEN1KMT2AMAPTGAALMNA
SCHEMBL27892246 0.82 KDR (0.54) MEN1KMT2AMAPTGAALMNA
SCHEMBL10308040 0.80 MEN1 (0.62) MEN1KMT2AMAPTGAALMNA
SCHEMBL31531040 0.80 MEN1 (0.62) MEN1KMT2AMAPTGAALMNA
SCHEMBL3573967 0.78 MAPT (0.66) MEN1KMT2AMAPTGAAHTT
SCHEMBL2082944 0.77 KMT2A (0.58) MEN1KMT2AMAPTGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10584110-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2020-03-10 US disclosed
US-20180208575-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. 2018-07-26 US disclosed
US-9878991-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2018-01-30 US disclosed
US-20160355499-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. 2016-12-08 US disclosed
US-20160355499-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. 2016-12-08 US disclosed
US-9365563-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2016-06-14 US disclosed
US-9365563-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2016-06-14 US disclosed
EP-2604598-B1 TRPV1 antagonists and uses thereof PURDUE PHARMA LP (US) 2016-04-06 EP disclosed
US-8889690-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2014-11-18 US disclosed
US-8889690-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2014-11-18 US disclosed
US-20090176796-A1 TRPV1 ANTAGONISTS INCLUDING AMIDE SUBSTITUENT AND USES THEREOF PURDUE PHARMA L. P. (US) 2009-07-09 US disclosed
US-20090176796-A1 TRPV1 ANTAGONISTS INCLUDING AMIDE SUBSTITUENT AND USES THEREOF PURDUE PHARMA L. P. (US) 2009-07-09 US disclosed
US-20090170868-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L. P. (US) 2009-07-02 US disclosed
US-20090170868-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L. P. (US) 2009-07-02 US disclosed
US-20090170868-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L. P. (US) 2009-07-02 US disclosed
US-20090170867-A1 TRPV1 ANTAGONISTS INCLUDING SULFONAMIDE SUBSTITUENT AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2009-07-02 US disclosed
US-20090170867-A1 TRPV1 ANTAGONISTS INCLUDING SULFONAMIDE SUBSTITUENT AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2009-07-02 US disclosed
US-20090170867-A1 TRPV1 ANTAGONISTS INCLUDING SULFONAMIDE SUBSTITUENT AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2009-07-02 US disclosed
WO-2008132600-A2 TRPV1 ANTAGONISTS AND USES THEREOF PURDUE PHARMA L.P. (DE) 2008-11-06 WO disclosed
WO-2008132600-A2 TRPV1 ANTAGONISTS AND USES THEREOF PURDUE PHARMA L.P. (DE) 2008-11-06 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 (6 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-20180208575-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV5 MEN1 4805/4885KMT2A 4058/4885MAPT 3081/4885
US-20090176796-A1 TRPV1 ANTAGONISTS INCLUDING AMIDE SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV2 MEN1 4830/4885KMT2A 3850/4885MAPT 2514/4885
US-20090170868-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV5 MEN1 4805/4885KMT2A 4058/4885MAPT 3081/4885
US-20160355499-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV5 MEN1 4805/4885KMT2A 4058/4885MAPT 3081/4885
US-10584110-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof TRPV1, TRPA1, TRPV5 MEN1 4805/4885KMT2A 4058/4885MAPT 3081/4885
US-20090170867-A1 TRPV1 ANTAGONISTS INCLUDING SULFONAMIDE SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV5 MEN1 4814/4885KMT2A 3379/4885MAPT 3141/4885

“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.