SCHEMBL4549457

SCHEMBL4549457

O=Cc1ccc(-n2cnc(-c3ccccc3)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.67
RAB9A P51151 1/20 0.67
NLRP3 Q96P20 1/20 0.67
MAP4K4 O95819 1/20 0.46
ALDH1A1 P00352 8/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GPR119 Q8TDV5 1/20 0.42
CYP2A6 P11509 1/20 0.41
KDM4E B2RXH2 4/20 0.39
MAPK1 P28482 1/20 0.39
METAP1 P53582 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNJ1 P48048 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
SCHEMBL4549455 0.94 NPC1 (0.58) NPC1RAB9ANLRP3MAP4K4ALDH1A1
SCHEMBL19244899 0.84 MAP4K4 (0.50) NPC1RAB9ANLRP3MAP4K4ALDH1A1
SCHEMBL10775340 0.84 NPC1 (0.77) NPC1RAB9ANLRP3MAP4K4ALDH1A1
SCHEMBL1230233 0.81 TLR2 (0.46) NPC1RAB9ANLRP3MAP4K4ALDH1A1
SCHEMBL27544953 0.80 NPC1 (0.71) NPC1RAB9ANLRP3MAP4K4MEN1
SCHEMBL15034499 0.80 NPC1 (0.71) NPC1RAB9ANLRP3MAP4K4ALDH1A1
SCHEMBL27584245 0.80 NPC1 (0.71) NPC1RAB9ANLRP3MAP4K4MAPT
SCHEMBL181896 0.79 NPC1 (0.65) NPC1RAB9ANLRP3MAP4K4ALDH1A1
SCHEMBL1230778 0.79 NPC1 (0.43) NPC1RAB9ANLRP3MAP4K4ALDH1A1
SCHEMBL28692512 0.78 NPC1 (0.68) NPC1RAB9ANLRP3MAP4K4MEN1

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 13 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-20140148340-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-05-29 US disclosed
US-8680269-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-03-25 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-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 (6 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 NPC1 1008/4885RAB9A 371/4885NLRP3 246/4885
US-20120172218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS NPC1 4139/4885RAB9A 848/4885NLRP3 4491/4885
US-20150080326-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS NPC1 4139/4885RAB9A 848/4885NLRP3 4491/4885
US-20140148340-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PLCG2 NPC1 3584/4885RAB9A 487/4885NLRP3 4114/4885
US-20120172217-A1 PESTICIDAL COMPOSITIONS DDT, AADAC, ACHE NPC1 1488/4885RAB9A 753/4885NLRP3 2368/4885
US-20120122805-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS NPC1 4139/4885RAB9A 848/4885NLRP3 4491/4885

“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.