Sugi Predict

Sugi Predict / Compounds / SCHEMBL4549458

SCHEMBL4549458

SCHEMBL4549458

N#Cc1ccc(-c2cn(-c3ccccc3)c(S)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A3 P47895 2/20 0.51
▸ ADORA2A P29274 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ GABRA1 P14867 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ CYP19A1 P11511 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MYC P01106 1/20 0.39
▸ F2RL3 Q96RI0 1/20 0.39
▸ AR P10275 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL10668005 0.86 NPC1 (0.41) ALDH1A3ADORA2ANPC1RAB9ACYP19A1
SCHEMBL5126771 0.84 RAB9A (0.44) ALDH1A3ADORA2ANPC1RAB9AKDM4E
SCHEMBL16577135 0.77 ALDH1A1 (0.39) NPC1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL10666225 0.75 ALDH1A3 (0.47) ALDH1A3ADORA2ANPC1RAB9AGABRA1
SCHEMBL10012522 0.74 ADORA1 (0.46) ADORA2ANPC1RAB9AKDM4ELMNA
SCHEMBL10664194 0.74 GRM5 (0.50) ALDH1A3ADORA2ANPC1RAB9ACYP19A1
SCHEMBL10668420 0.73 ALDH1A3 (0.45) ALDH1A3ADORA2ANPC1RAB9AGABRA1
SCHEMBL10667515 0.73 ALDH1A3 (0.45) ALDH1A3ADORA2ANPC1RAB9AGABRA1
SCHEMBL10667076 0.72 MAOA (0.49) ALDH1A3NPC1RAB9ACYP19A1MAPK1
SCHEMBL8038395 0.71 ALDH1A1 (0.52) NPC1RAB9AKDM4ELMNASMN1; SMN2

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 18 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
US-9179681-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-11-10 — — 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-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-20140148340-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-05-29 — — US disclosed
US-20140135364-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-05-15 — — US disclosed
US-8680269-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-03-25 — — 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-20120172217-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-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-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 (8 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 ALDH1A3 1720/4885ADORA2A 3724/4885NPC1 1008/4885
US-20120172218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS ALDH1A3 894/4885ADORA2A 2728/4885NPC1 4139/4885
US-20150080326-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS ALDH1A3 894/4885ADORA2A 2728/4885NPC1 4139/4885
US-20120190543-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, AADAC ALDH1A3 1622/4885ADORA2A 2939/4885NPC1 2246/4885
US-20140148340-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PLCG2 ALDH1A3 619/4885ADORA2A 2063/4885NPC1 3584/4885
US-20120172217-A1 PESTICIDAL COMPOSITIONS DDT, AADAC, ACHE ALDH1A3 1299/4885ADORA2A 2836/4885NPC1 1488/4885
US-20120122805-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS ALDH1A3 894/4885ADORA2A 2728/4885NPC1 4139/4885
US-20140135364-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PLCG2 ALDH1A3 619/4885ADORA2A 2063/4885NPC1 3584/4885

“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.