SCHEMBL3628472

SCHEMBL3628472

N#Cc1cc(F)c(NN)cc1F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.50
KHK P50053 1/20 0.39
USP30 Q70CQ3 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
CYP11B1 P15538 8/20 0.33
CYP11B2 P19099 8/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ACLY P53396 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
LRRK2 Q5S007 1/20 0.31
EGLN2 Q96KS0 1/20 0.31

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
SCHEMBL2081398 0.92 TRPV4 (0.45) TRPV4KHKUSP30CA1CA2
SCHEMBL14030008 0.82 TRPV4 (0.37) TRPV4KHKCA1CA2CA9
SCHEMBL3186092 0.79 TRPV4 (0.50) TRPV4KHKUSP30BACE2CYP11B1
SCHEMBL6651303 0.79 TRPV4 (0.71) TRPV4KHKCYP11B1CYP11B2
SCHEMBL23048559 0.79 TRPV4 (0.41) TRPV4KHKCYP11B1CYP11B2ADRB2
SCHEMBL6505718 0.78 ALDH1A1 (0.45)
SCHEMBL20156962 0.77 TRPV4 (0.44) TRPV4KHKUSP30CA9BACE2
SCHEMBL6497939 0.75 CYP11B1 (0.39) CYP11B1CYP11B2
SCHEMBL15076589 0.74 CA1 (0.43) CA1CA2CA9
SCHEMBL366972 0.74 TRPV4 (0.65) TRPV4KHKCYP11B1CYP11B2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146967-A2 TETRAHYDROINDOLE AND TETRAHYDROINDAZOLE DERIVATIVES Serenex, Inc. (US) 2010-01-27 EP disclosed
WO-2008130879-A2 TETRAHYDROINDOLE AND TETRAHYDROINDAZOLE DERIVATIVES SERENEX, INC. (US) 2008-10-30 WO disclosed
WO-2008130879-A2 TETRAHYDROINDOLE AND TETRAHYDROINDAZOLE DERIVATIVES SERENEX, INC. (US) 2008-10-30 WO disclosed
US-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives SERENEX, INC. 2008-10-30 US disclosed
US-7012041-B2 Phenylpyridazinones BAYER AG (DE) 2006-03-14 US disclosed
US-6906006-B1 N-arly-substituted nitrogen-containing heterocycles, processes and novel intermediates for their preparation, and their use as herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 2005-06-14 US disclosed
US-20040063580-A1 Bicyclic triazolone derivatives and a herbicides containing the same SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2004-04-01 US disclosed
EP-0832072-B1 PHENYLPYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2003-09-24 EP disclosed
EP-1333031-A1 BICYCLIC TRIAZOLONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME Sumitomo Chemical Takeda Agro Company, Limited (JP) 2003-08-06 EP disclosed
US-20030119673-A1 Phenylpyridazinones LINKER KARL-HEINZ (DE) 2003-06-26 US disclosed
WO-2001009087-A1 SUBSTITUTED ARYLHYDRAZONE CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-02-08 WO disclosed
EP-1070055-A1 SUBSTITUTED PHENYL PYRIDAZINONES Bayer Aktiengesellschaft (DE) 2001-01-24 EP disclosed
WO-1999052878-A1 SUBSTITUTED PHENYL PYRIDAZINONES BAYER AKTIENGESELLSCHAFT (DE) 1999-10-21 WO disclosed
EP-0832072-A1 PHENYLPYRIDAZINONES BAYER AG (DE) 1998-04-01 EP disclosed
WO-1996039392-A1 PHENYLPYRIDAZINONES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-12 WO disclosed
US-5554580-A N-aryl-substituted nitrogen-containing heterocycles intermediates and their use as herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1996-09-10 US disclosed
EP-0370332-B1 N-aryl-nitrogen heterocycles, process and intermediates for their production and their use as herbicides and in controlling the growth of plants BAYER AG (DE) 1994-03-30 EP disclosed
US-5006148-A N-aryl-substituted nitrogen-containing heterocycles, and their use as herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1991-04-09 US disclosed
EP-0382034-A1 N-aryl-nitrogenated heterocycles BAYER AG (DE) 1990-08-16 EP disclosed
EP-0370332-A1 N-aryl-nitrogen heterocycles, process and intermediates for their production and their use as herbicides and in controlling the growth of plants BAYER AG (DE) 1990-05-30 EP 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 (3 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-20030119673-A1 Phenylpyridazinones CYP2D6, CYP1A1, CYP1B1 TRPV4 3210/4885KHK 1062/4885USP30 3093/4885
US-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives HSF1, HSP90AB1, TPH1 TRPV4 2345/4885KHK 3100/4885USP30 759/4885
US-20040063580-A1 Bicyclic triazolone derivatives and a herbicides containing the same WEE1, WEE2, BAK1 TRPV4 413/4885KHK 41/4885USP30 3606/4885

“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.