SCHEMBL2743376

SCHEMBL2743376

O=C(c1ccc(-c2ncn(-c3ccc(C(F)(F)F)cc3)n2)cc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2N P61088 1/20 0.42
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
P2RY14 Q15391 2/20 0.39
OPRD1 P41143 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC4 P56524 1/20 0.39
MLYCD O95822 2/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
SLC6A7 Q99884 1/20 0.38
HDAC1 Q13547 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
LIPE Q05469 1/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.36
MAPT P10636 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
SCHEMBL16030407 0.81 KCNJ1 (0.42) ALDH1A1LMNAHDAC6HDAC1
SCHEMBL16046625 0.81 ABCG2 (0.45) P2RY14ABCG2MAPT
SCHEMBL16029912 0.81 CYP2C9 (0.57) P2RY14HDAC6
SCHEMBL17380732 0.81 MAPT (0.39) ALDH1A1LMNAHDAC6HDAC4ABCG2
SCHEMBL14576537 0.81 KIF11 (0.51) P2RY14
SCHEMBL16030877 0.81 AHR (0.48) LMNAP2RY14
SCHEMBL17380552 0.81 ALDH1A1 (0.36) UBE2NALDH1A1LMNAP2RY14OPRD1
SCHEMBL26646115 0.80 P2RY14 (0.49) ALDH1A1LMNAP2RY14OPRD1SIGMAR1
Hydrochloric Acid SCHEMBL16047569 0.80 ABCG2 (0.44) P2RY14ABCG2MAPT
SCHEMBL21371747 0.80 ABCG2 (0.39) UBE2NHDAC6ABCG2HDAC1

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
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed
EP-2247603-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-09-28 EP disclosed
US-9018363-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-28 US disclosed
US-9006468-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-04-14 US disclosed
US-20150080326-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-03-19 US disclosed
US-20120172218-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-05 US disclosed
US-20120122805-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-05-17 US disclosed
US-8178658-B2 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES, LLC (US) 2012-05-15 US disclosed
EP-2247603-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2010-11-10 EP disclosed
WO-2009102736-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2009-08-20 WO disclosed
US-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES LLC (US) 2009-08-20 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 (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-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DDT, ACHE, NANP UBE2N 2008/4885CES2 116/4885CES1 242/4885
US-20120172218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS UBE2N 3130/4885CES2 707/4885CES1 1301/4885
US-20150080326-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS UBE2N 3130/4885CES2 707/4885CES1 1301/4885
US-20120122805-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS UBE2N 3130/4885CES2 707/4885CES1 1301/4885

“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.