SCHEMBL5394591

SCHEMBL5394591

N#CC(O)c1cccc(Oc2ccc(Br)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PTGS1 P23219 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2D6 P10635 1/20 0.40
AKR1C3 P42330 1/20 0.39
ALOX5 P09917 1/20 0.39
MAPT P10636 3/20 0.37
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
TNKS O95271 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP14 Q460N5 1/20 0.36
PARP10 Q53GL7 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL11474179 0.89 TSHR (0.46) TSHRNPSR1PTGS1MEN1KMT2A
SCHEMBL3880467 0.87 TSHR (0.60) TSHRPTGS1MEN1KMT2ACYP2D6
SCHEMBL30045078 0.87 TSHR (0.60) TSHRPTGS1MEN1KMT2ACYP2D6
SCHEMBL29890128 0.87 TSHR (0.60) TSHRPTGS1MEN1KMT2ACYP2D6
SCHEMBL192456 0.87 TSHR (0.60) TSHRPTGS1MEN1KMT2ACYP2D6
SCHEMBL1677135 0.87 TSHR (0.60) TSHRPTGS1MEN1KMT2ACYP2D6
SCHEMBL11233625 0.85 TSHR (0.44) TSHRPTGS1MEN1KMT2ACYP2D6
SCHEMBL359346 0.85 TSHR (0.44) TSHRPTGS1MEN1KMT2ACYP2D6
SCHEMBL10507535 0.85 TSHR (0.44) TSHRNPSR1PTGS1MEN1KMT2A
SCHEMBL11248942 0.85 TSHR (0.44) TSHRNPSR1PTGS1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012150206-A2 NOVEL CYCLOPROPANOIC ACID ESTER DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2012-11-08 WO disclosed
WO-2012150207-A1 USE OF CYCLOPROPANECARBOXYLIC ACID ESTER DERIVATIVES FOR CONTROLLING INSECTICIDE-RESISTANT INSECTS BAYER CROPSCIENCE AG (DE) 2012-11-08 WO disclosed
US-7223758-B2 Pyridazine derivative, pharmaceutical composition thereof, its pharmaceutical use, and process for its preparation SANOFI-AVENTIS (FR) 2007-05-29 US disclosed
EP-1476434-B1 PYRIDAZINE DERIVATIVES, USE OF THE SAME AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND METHOD FOR PRODUCING THE SAME AVENTIS PHARMA SA (FR) 2006-06-14 EP disclosed
US-20050165017-A1 Pyridazine derivative, pharmaceutical composition thereof, its pharmaceutical use, and process for its preparation AVENTIS PHARMA S.A. (FR) 2005-07-28 US disclosed
EP-1476434-A2 PYRIDAZINE DERIVATIVES, USE OF THE SAME AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND METHOD FOR PRODUCING THE SAME Aventis Pharma S.A. (FR) 2004-11-17 EP disclosed
WO-2003068140-A2 NOVEL PYRIDAZINE DERIVATIVES, USE OF THE SAME AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND METHOD FOR PRODUCING THE SAME AVENTIS PHARMA S.A. (FR) 2003-08-21 WO disclosed
US-4833163-A INSECTICIDES, NEMATOCIDES, MITICIDES ROUSSEL UCLAF (FR) 1989-05-23 US disclosed
US-4303672-A Cyclopropanecarboxylate insecticides and/or acaricides exhibiting low toxicity to mammals and fish SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-12-01 US disclosed
US-4265906-A BROMOPHENOXYCYANOBENZYL CYCLOPROPANECARBOXYLATE DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-05-05 US disclosed
US-4242357-A INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-12-30 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 (1 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-20050165017-A1 Pyridazine derivative, pharmaceutical composition thereof, its pharmaceutical use, and process for its preparation CYP3A5, IL5, CYP2C19 TSHR 2605/4885NPSR1 1466/4885PTGS1 633/4885

“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.