SCHEMBL433736

SCHEMBL433736

O=C(CCBr)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.71
KMT2A Q03164 5/20 0.71
MAPT P10636 5/20 0.71
RECQL P46063 1/20 0.71
HDAC3 O15379 1/20 0.70
HDAC1 Q13547 1/20 0.70
HDAC2 Q92769 1/20 0.70
HDAC10 Q969S8 1/20 0.70
HDAC11 Q96DB2 1/20 0.70
HDAC8 Q9BY41 1/20 0.70
HDAC6 Q9UBN7 1/20 0.70
NCOR2 Q9Y618 1/20 0.70
GAA P10253 1/20 0.68
XBP1 P17861 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.65
ALDH1A1 P00352 3/20 0.63
LMNA P02545 1/20 0.61
POLB P06746 1/20 0.61
HTT P42858 2/20 0.60

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
SCHEMBL8171789 0.90 HDAC3 (0.78) MEN1KMT2AMAPTRECQLHDAC3
SCHEMBL29485038 0.89 MAPT (0.70) MEN1KMT2AMAPTRECQLHDAC3
SCHEMBL240730 0.89 MAPT (0.70) MEN1KMT2AMAPTRECQLHDAC3
SCHEMBL963689 0.88 HDAC3 (0.70) MEN1KMT2AMAPTRECQLHDAC3
SCHEMBL26627751 0.87 MAPT (0.72) MEN1KMT2AMAPTRECQLHDAC3
SCHEMBL31236338 0.87 MAPT (0.77) MEN1KMT2AMAPTRECQLHDAC3
SCHEMBL5142590 0.87 MAPT (0.77) MEN1KMT2AMAPTRECQLHDAC3
SCHEMBL5122417 0.86 LMNA (0.72) MEN1KMT2AMAPTRECQLHDAC3
SCHEMBL5543375 0.86 HDAC3 (0.68) MEN1KMT2AMAPTRECQLHDAC3
SCHEMBL8657567 0.86 HDAC3 (0.68) MEN1KMT2AMAPTRECQLHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBVIE, INC. (US) 2013-06-27 US disclosed
US-8350083-B2 Antagonists of the TRPV1 receptor and uses thereof ABBVIE INC. (US) 2013-01-08 US disclosed
EP-2450346-A1 Antagonists of the TRPV1 receptor and uses thereof Abbott Laboratories (US) 2012-05-09 EP disclosed
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
US-8030504-B2 Pain, especially, inflammatory hyperalgesia, ostheoarthritic pain, chronic lower pain, allodynia, migraine. Methods of controlling pain and treating bladder overactivity and urinary incontinence ABBOTT LABORATORIES (US) 2011-10-04 US disclosed
US-7645784-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2010-01-12 US disclosed
EP-2134678-A2 N-(5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Abbott Laboratories (US) 2009-12-23 EP disclosed
CN-101563318-A N- (5, 6, 7, 8-tetrahydronaphthalen-1-yl) urea derivatives and related compounds as trpv1 vanilloid receptor antagonists for the treatment of pain ABBOTT LAB (US) 2009-10-21 CN disclosed
EP-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 EP disclosed
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
CN-101328150-A New benzimidazole derivatives ASTRAZENECA AB (SE) 2008-12-24 CN disclosed
CN-100413849-C Benzimidazole derivatives ASTRAZENECA AB (SE) 2008-08-27 CN disclosed
WO-2008079683-A2 N- (5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN ABBOTT LABORATORIES (US) 2008-07-03 WO disclosed
US-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-26 US disclosed
US-20060287377-A1 New benzimidazole derivatives ASTRAZENECA AB (SE) 2006-12-21 US disclosed
CN-1784387-A Novel benzimidazole derivatives ASTRAZENECA AB (SE) 2006-06-07 CN disclosed
EP-1626964-A2 NEW BENZIMIDAZOLE DERIVATIVES AstraZeneca AB (SE) 2006-02-22 EP disclosed
WO-2004100865-A2 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-25 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 (4 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-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 MEN1 3677/4885KMT2A 4540/4885MAPT 2392/4885
US-20060287377-A1 New benzimidazole derivatives CYP2C9, CDK9, CCNI MEN1 1947/4885KMT2A 2653/4885MAPT 2393/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 MEN1 3744/4885KMT2A 4629/4885MAPT 2573/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 MEN1 3677/4885KMT2A 4540/4885MAPT 2392/4885

“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.