SCHEMBL4549455

SCHEMBL4549455

O=Cc1ccc(-c2cn(-c3ccccc3)cn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
NLRP3 Q96P20 1/20 0.58
MAP4K4 O95819 1/20 0.46
ALDH1A1 P00352 3/20 0.41
CYP2A6 P11509 1/20 0.41
MAPT P10636 1/20 0.40
CNR1 P21554 1/20 0.39
FGFR1 P11362 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GRM5 P41594 1/20 0.37
P2RX7 Q99572 1/20 0.37
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
METAP1 P53582 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
SCHEMBL4549457 0.94 NPC1 (0.67) NPC1RAB9ANLRP3MAP4K4ALDH1A1
SCHEMBL19244899 0.84 MAP4K4 (0.50) NPC1RAB9ANLRP3MAP4K4ALDH1A1
SCHEMBL10775340 0.84 NPC1 (0.77) NPC1RAB9ANLRP3MAP4K4ALDH1A1
SCHEMBL1230233 0.81 TLR2 (0.46) NPC1RAB9ANLRP3MAP4K4ALDH1A1
SCHEMBL21430053 0.80 NPC1 (0.61) NPC1RAB9ANLRP3MAP4K4MAPT
SCHEMBL1230778 0.79 NPC1 (0.43) NPC1RAB9ANLRP3MAP4K4ALDH1A1
SCHEMBL1230313 0.78 MAOA (0.43) NPC1RAB9ANLRP3MAP4K4ALDH1A1
SCHEMBL17279832 0.78 RAB9A (0.67) NPC1RAB9ANLRP3MAP4K4ALDH1A1
SCHEMBL27836625 0.77 NPC1 (0.61) NPC1RAB9ANLRP3MAP4K4ALDH1A1
SCHEMBL10316090 0.76 NPC1 (0.56) NPC1RAB9ANLRP3MAP4K4ALDH1A1

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 16 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-9179681-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-11-10 US disclosed
EP-2461687-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-09-16 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-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-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.