SCHEMBL516677

SCHEMBL516677

Cc1cc(-c2nc(-c3ccc(SC(F)(F)F)cc3)no2)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.46
TP53 P04637 7/20 0.46
POLB P06746 2/20 0.45
S1PR1 P21453 3/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
ALOX5AP P20292 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2640759 0.84 LMNA (0.59) MAPTTP53POLBS1PR1NPC1
SCHEMBL2641004 0.82 NPC1 (0.52) MAPTTP53POLBS1PR1NPC1
SCHEMBL2640808 0.82 MAPT (0.52) MAPTTP53POLBS1PR1NPC1
SCHEMBL516913 0.81 MAPT (0.53) MAPTTP53POLBS1PR1NPC1
SCHEMBL516209 0.81 NPC1 (0.50) MAPTTP53POLBS1PR1NPC1
SCHEMBL2360618 0.80 NPC1 (0.65) MAPTTP53POLBS1PR1NPC1
SCHEMBL2640833 0.79 MAPT (0.45) MAPTTP53POLBS1PR1NPC1
SCHEMBL2640845 0.79 MAPT (0.49) MAPTTP53POLBS1PR1NPC1
SCHEMBL516813 0.78 ALOX5AP (0.48) MAPTTP53POLBS1PR1NPC1
SCHEMBL2360362 0.77 MAPT (0.71) MAPTTP53POLBS1PR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569312-B1 SUBSTITUTED HETEROCYCLYL BENZYL PYRAZOLES, AND USE THEREOF BAYER IP GMBH (DE) 2014-03-26 EP disclosed
EP-2569312-B1 SUBSTITUTED HETEROCYCLYL BENZYL PYRAZOLES, AND USE THEREOF BAYER IP GMBH (DE) 2014-03-26 EP disclosed
US-20130172311-A1 Substituted heterocyclyl benzyl pyrazoles, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-04 US disclosed
US-20130172311-A1 Substituted heterocyclyl benzyl pyrazoles, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-04 US disclosed
US-8470811-B2 Substituted heterocyclylbenzylpyrazoles and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-25 US disclosed
US-8470811-B2 Substituted heterocyclylbenzylpyrazoles and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-25 US disclosed
EP-2569309-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES Bayer Intellectual Property GmbH (DE) 2013-03-20 EP disclosed
EP-2569312-A1 SUBSTITUTED HETEROCYCLYL BENZYL PYRAZOLES, AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2013-03-20 EP disclosed
US-20120028950-A1 Substituted heterocyclylbenzylpyrazoles and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 US disclosed
US-20120028950-A1 Substituted heterocyclylbenzylpyrazoles and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 US disclosed
WO-2011141325-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed
WO-2011141325-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed
WO-2011141326-A1 SUBSTITUTED HETEROCYCLYL BENZYL PYRAZOLES, AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed
WO-2011141326-A1 SUBSTITUTED HETEROCYCLYL BENZYL PYRAZOLES, AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 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 (2 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-20130172311-A1 Substituted heterocyclyl benzyl pyrazoles, and use thereof HIF1AN, VHL, HIF1A MAPT 4540/4885TP53 242/4885POLB 1742/4885
US-20120028950-A1 Substituted heterocyclylbenzylpyrazoles and use thereof HIF1AN, VHL, HIF1A MAPT 4520/4885TP53 252/4885POLB 1359/4885

“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.