SCHEMBL6722032

SCHEMBL6722032

N#Cc1cc(F)c(N)cc1O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.43
TRPV4 Q9HBA0 2/20 0.41
ESR1 P03372 10/20 0.35
ESR2 Q92731 10/20 0.35
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL13660126 0.82 KHK (0.48) KHKTRPV4CYP11B1CYP11B2ADRB2
SCHEMBL1128865 0.82 TRPV4 (0.46) KHKTRPV4ESR1ESR2CNR2
SCHEMBL6661759 0.80 KHK (0.47) KHKTRPV4CYP11B1CYP11B2ADRB2
SCHEMBL332547 0.80 TRPV4 (0.56) KHKTRPV4CYP11B1CYP11B2ADRB2
SCHEMBL934418 0.76 TRPV4 (0.50) KHKTRPV4CYP11B1CYP11B2ADRB2
SCHEMBL29467996 0.76 TRPV4 (0.50) KHKTRPV4CYP11B1CYP11B2ADRB2
SCHEMBL3324301 0.75 TRPV4 (0.41) KHKTRPV4ESR1ESR2CNR2
SCHEMBL31267335 0.75 KHK (0.43) KHKTRPV4CYP11B1CYP11B2ADRB2
SCHEMBL2476965 0.75 KHK (0.52) KHKTRPV4CYP11B1CYP11B2ALDH1A1
SCHEMBL5846599 0.75 KHK (0.43) KHKTRPV4CYP11B1CYP11B2ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
EP-1315733-A2 METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES BASF AKTIENGESELLSCHAFT (DE) 2003-06-04 EP disclosed
WO-2002020531-A2 METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES BASF AKTIENGESELLSCHAFT (DE) 2002-03-14 WO disclosed
EP-0364797-B1 N-aryl-nitrogenated heterocycles, process for their preparation and their use as herbicides BAYER AG (DE) 1994-02-16 EP disclosed
US-5221318-A Crop plant selectivity BAYER AKTIENGESELLSCHAFT (DE) 1993-06-22 US disclosed
US-5069711-A PREEMERGENCE BAYER AKTIENGESELLSCHAFT (DE) 1991-12-03 US disclosed
EP-0364797-A2 N-aryl-nitrogenated heterocycles, process for their preparation and their use as herbicides BAYER AG (DE) 1990-04-25 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 (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-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 KHK 874/4885TRPV4 3939/4885ESR1 3561/4885

“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.