SCHEMBL9907155

SCHEMBL9907155

COc1cc(C(=O)CBr)cc(OCC2CCCCC2)c1OC

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
PARP15 Q460N3 1/20 0.46
PARP10 Q53GL7 1/20 0.46
POLB P06746 1/20 0.45
PDE4B Q07343 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 4/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
FKBP1A P62942 1/20 0.41

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
SCHEMBL13746658 0.86 TDP1 (0.54) TDP1PARP15PARP10POLBPDE4B
SCHEMBL1190258 0.86 TDP1 (0.59) TDP1PARP15PARP10POLBPDE4B
SCHEMBL503143 0.81 MEN1 (0.58) KMT2AALDH1A1GAAKDM4EMEN1
SCHEMBL1190257 0.81 TDP1 (0.53) TDP1PARP15PARP10POLBPDE4B
SCHEMBL1189856 0.80 PARP10 (0.48) PARP15PARP10POLBKMT2AALDH1A1
SCHEMBL30352634 0.78 PDE4B (0.65) PDE4B
SCHEMBL22713915 0.78 PDE4B (0.65) PDE4B
SCHEMBL9907150 0.75 F2R (0.42) PDE4B
SCHEMBL1190408 0.74 PARP10 (0.47) PARP15PARP10THRATHRB
SCHEMBL4569155 0.73 PARP10 (0.48) PARP15PARP10THRATHRB

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
EP-2240486-B1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, THEIR MANUFACTURE AND THEIR APPLICATION AS MEDICINE SANOFI SA (FR) 2015-09-09 EP disclosed
US-9079906-B2 Triazolopyridazines as PAR1 inhibitors, production thereof, and use as medicaments SANOFI (FR) 2015-07-14 US disclosed
US-9079906-B2 Triazolopyridazines as PAR1 inhibitors, production thereof, and use as medicaments SANOFI (FR) 2015-07-14 US disclosed
US-8853206-B2 Triazolium salts as PAR1 inhibitors, production thereof, and use as medicaments SANOFI (FR) 2014-10-07 US disclosed
US-8853206-B2 Triazolium salts as PAR1 inhibitors, production thereof, and use as medicaments SANOFI (FR) 2014-10-07 US disclosed
US-20120208805-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI (FR) 2012-08-16 US disclosed
US-20120208805-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI (FR) 2012-08-16 US disclosed
US-8198272-B2 Triazolium salts as PAR1 inhibitors, production thereof, and use as medicaments SANOFI-AVENTIS (FR) 2012-06-12 US disclosed
US-8198272-B2 Triazolium salts as PAR1 inhibitors, production thereof, and use as medicaments SANOFI-AVENTIS (FR) 2012-06-12 US disclosed
US-20120010203-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2012-01-12 US disclosed
US-20120010203-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2012-01-12 US disclosed
US-8076336-B2 Triazolopyridazines as PAR1 inhibitors, production thereof, and use as medicaments SANOFI-AVENTIS (FR) 2011-12-13 US disclosed
US-8076336-B2 Triazolopyridazines as PAR1 inhibitors, production thereof, and use as medicaments SANOFI-AVENTIS (FR) 2011-12-13 US disclosed
US-20110034452-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2011-02-10 US disclosed
US-20110034452-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2011-02-10 US disclosed
US-20110034451-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2011-02-10 US disclosed
US-20110034451-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2011-02-10 US disclosed
WO-2009097971-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-08-13 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-20110034451-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 TDP1 215/4885PARP15 25/4885PARP10 124/4885
US-20120208805-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 TDP1 373/4885PARP15 24/4885PARP10 46/4885
US-20110034452-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 TDP1 387/4885PARP15 27/4885PARP10 47/4885
US-20120010203-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 TDP1 215/4885PARP15 25/4885PARP10 124/4885

“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.