SCHEMBL1855812

SCHEMBL1855812

CO/N=C1\CCc2cc(Br)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.42
SRD5A2 P31213 1/20 0.42
PARP10 Q53GL7 1/20 0.40
PARP11 Q9NR21 1/20 0.40
CYP19A1 P11511 6/20 0.39
CYP11B1 P15538 6/20 0.39
CYP11B2 P19099 6/20 0.39
MAPT P10636 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
TYMS P04818 1/20 0.35
METAP1 P53582 1/20 0.34

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
SCHEMBL29854633 1.00 SRD5A1 (0.42) SRD5A1SRD5A2PARP10PARP11CYP19A1
SCHEMBL27907436 1.00 SRD5A1 (0.42) SRD5A1SRD5A2PARP10PARP11CYP19A1
SCHEMBL1855814 1.00 SRD5A1 (0.42) SRD5A1SRD5A2PARP10PARP11CYP19A1
SCHEMBL13606738 0.81 MAPT (0.47) SRD5A1PARP10PARP11MAPTNPC1
SCHEMBL24842 0.79 MAPT (0.39) MAPTNPC1RAB9ANFKB1NFKB2
SCHEMBL1857232 0.78 MAPT (0.38) MAPTNPC1RAB9ANFKB1NFKB2
SCHEMBL2688156 0.78 MAPT (0.38) MAPTNPC1RAB9ANFKB1NFKB2
SCHEMBL1857233 0.78 MAPT (0.38) MAPTNPC1RAB9ANFKB1NFKB2
SCHEMBL4791976 0.77 SRD5A1 (0.36) SRD5A1SRD5A2PARP10PARP11CYP19A1
SCHEMBL4724633 0.77 SRD5A1 (0.36) SRD5A1SRD5A2PARP10PARP11CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487116-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. (US) 2013-07-16 US disclosed
US-20120190845-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBVIE INC. 2012-07-26 US disclosed
US-8071762-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2011-12-06 US disclosed
US-8026256-B2 Fused compounds that inhibit vanilloid subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2011-09-27 US disclosed
EP-2017265-B1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LAB (US) 2011-05-25 EP disclosed
US-20090176809-A1 RAF INHIBITOR COMPOUNDS AND METHODS LAIRD ELLEN 2009-07-09 US disclosed
US-7491829-B2 RAF inhibitor compounds and methods ARRAY BIOPHARMA INC. (US) 2009-02-17 US disclosed
EP-2017265-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor Abbott Laboratories (US) 2009-01-21 EP disclosed
US-20080287676-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2008-11-20 US disclosed
EP-1658269-B1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2008-10-22 EP disclosed
US-7375126-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2008-05-20 US disclosed
EP-1846391-A2 RAF INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2007-10-24 EP disclosed
US-20060189627-A1 RAF inhibitor compounds and methods ARRAY BIOPHARMA INC. 2006-08-24 US disclosed
WO-2006084015-A2 RAF INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2006-08-10 WO disclosed
EP-1658269-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR Abbott Laboratories (US) 2006-05-24 EP disclosed
US-7015233-B2 Fused compounds that inhibit vanilloid subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2006-03-21 US disclosed
US-20060035934-A1 Fused compounds that inhibit vanilloid subtype 1 (VR1) receptor ABBVIE INC. 2006-02-16 US disclosed
US-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2005-02-24 US disclosed
WO-2004111009-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2004-12-23 WO disclosed
US-20040254188-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2004-12-16 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 (7 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-20080287676-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ARRB1, TRPV1, TRPV5 SRD5A1 487/4885SRD5A2 897/4885PARP10 1783/4885
US-20060189627-A1 RAF inhibitor compounds and methods BRAF, RAF1, ARAF SRD5A1 2781/4885SRD5A2 3449/4885PARP10 2740/4885
US-20060035934-A1 Fused compounds that inhibit vanilloid subtype 1 (VR1) receptor TRPV1, TRPV2, OPRL1 SRD5A1 1122/4885SRD5A2 2030/4885PARP10 3084/4885
US-20090176809-A1 RAF INHIBITOR COMPOUNDS AND METHODS BRAF, RAF1, ARAF SRD5A1 2781/4885SRD5A2 3449/4885PARP10 2740/4885
US-20040254188-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, OPRL1, TRPV2 SRD5A1 960/4885SRD5A2 1905/4885PARP10 2927/4885
US-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ARRB1, TRPV1, TRPV5 SRD5A1 475/4885SRD5A2 909/4885PARP10 1814/4885
US-20120190845-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ARRB1, TRPV1, TRPV5 SRD5A1 487/4885SRD5A2 897/4885PARP10 1783/4885

“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.