SCHEMBL4549490

SCHEMBL4549490

O=C(O)c1ccc(-c2ncn(-c3ccccc3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.50
ALKBH2 Q6NS38 1/20 0.50
MAPT P10636 4/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 4/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
FGFR1 P11362 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 2/20 0.42
ADH5 P11766 1/20 0.42
TP53 P04637 1/20 0.42
RORC P51449 1/20 0.41
HPGD P15428 1/20 0.41
HSP90AA1 P07900 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL19244631 0.88 CA12 (0.48) HPGDSALKBH2MAPTMEN1KMT2A
SCHEMBL16144601 0.86 TPMT (0.50) HPGDSALKBH2MAPTMEN1KMT2A
SCHEMBL6758328 0.86 SMN1; SMN2 (0.50) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL18672145 0.85 ALDH1A1 (0.54) HPGDSALKBH2KMT2ASMN1; SMN2RAB9A
SCHEMBL458419 0.84 NPC1 (0.46) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL182018 0.83 KDM4E (0.48) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL181897 0.83 KMO (0.51) HPGDSALKBH2MAPTMEN1KMT2A
SCHEMBL181765 0.82 EGLN1 (0.48) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL182399 0.82 KMO (0.46) SMN1; SMN2RAB9ANPC1HSP90AA1NFKB1
SCHEMBL2396469 0.81 CYP11B1 (0.44) MAPTMEN1KMT2ASMN1; SMN2RAB9A

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 19 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
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-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-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-20150080326-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-03-19 US disclosed
US-8927729-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-01-06 US disclosed
US-8674109-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-03-18 US disclosed
US-20120190543-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-26 US disclosed
US-20120172218-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-05 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
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
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
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 (5 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 HPGDS 1679/4885ALKBH2 2891/4885MAPT 2297/4885
US-20120172218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS HPGDS 3031/4885ALKBH2 1842/4885MAPT 3378/4885
US-20150080326-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS HPGDS 3031/4885ALKBH2 1842/4885MAPT 3378/4885
US-20120190543-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, AADAC HPGDS 4535/4885ALKBH2 1117/4885MAPT 3486/4885
US-20120122805-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS HPGDS 3031/4885ALKBH2 1842/4885MAPT 3378/4885

“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.