SCHEMBL714484

SCHEMBL714484

c1ccc(-c2nnc(-c3ccncc3)o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 1.00
RAB9A P51151 10/20 1.00
ATAD2 Q6PL18 2/20 1.00
PKM P14618 2/20 0.82
TP53 P04637 1/20 0.82
SMN1; SMN2 Q16637 4/20 0.77
NOTUM Q6P988 2/20 0.63
HPGD P15428 4/20 0.61
POLB P06746 1/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
ALDH1A1 P00352 4/20 0.59
KDM4E B2RXH2 3/20 0.59
HSD17B10 Q99714 2/20 0.59
GLA P06280 1/20 0.59
MAPT P10636 1/20 0.59
ALOX15 P16050 1/20 0.59

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
SCHEMBL4883712 0.91 PKM (1.00) NPC1RAB9AATAD2PKMTP53
SCHEMBL46426 0.88 NPC1 (1.00) NPC1RAB9AATAD2TP53SMN1; SMN2
SCHEMBL13134534 0.87 NPC1 (0.76) NPC1RAB9AATAD2PKMTP53
SCHEMBL9612006 0.86 PKM (0.90) NPC1RAB9AATAD2PKMTP53
SCHEMBL11965041 0.86 PKM (0.90) NPC1RAB9AATAD2PKMTP53
SCHEMBL4343181 0.85 NPC1 (0.94) NPC1RAB9AATAD2TP53SMN1; SMN2
SCHEMBL38657585 0.84 NPC1 (0.72) NPC1RAB9AATAD2PKMTP53
SCHEMBL46424 0.83 NPC1 (0.90) NPC1RAB9AATAD2TP53SMN1; SMN2
SCHEMBL22858502 0.83 NPC1 (0.90) NPC1RAB9AATAD2TP53SMN1; SMN2
SCHEMBL522555 0.83 NPC1 (0.90) NPC1RAB9AATAD2TP53SMN1; 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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220104493-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-04-07 US disclosed
EP-3920701-A1 HERBICIDAL COMPOUNDS Syngenta Crop Protection AG (CH) 2021-12-15 EP disclosed
CN-113412055-A Herbicidal compounds 先正达农作物保护股份公司 2021-09-17 CN disclosed
WO-2020161163-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 WO disclosed
WO-2015081280-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION COFERON, INC. (US) 2015-06-04 WO disclosed
WO-2015081284-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2015-06-04 WO disclosed
US-8153645-B2 Use of analgesics to treat chronic pain using sodium channel modulators ALLERGAN, INC. (US) 2012-04-10 US disclosed
US-8124612-B2 Treating neurological disorders using selective antagonists of persistent sodium current ALLERGAN, INC. (US) 2012-02-28 US disclosed
US-7767718-B2 Treating pain using selective antagonists of persistent sodium current ALLERGAN, INC. (US) 2010-08-03 US disclosed
US-7763651-B2 Treating pain using selective antagonists of persistent sodium current ALLERGAN, INC. (US) 2010-07-27 US disclosed
US-20060106103-A1 Treating neurological disorders using selective antagonists of persistent sodium current ALLERGAN, INC. (US) 2006-05-18 US disclosed
US-20050238917-A1 Charge transporting polymer and production process thereof, and polymer composition for organic electroluminescence device and organic electroluminescence device JSR CORPORATION (JP) 2005-10-27 US disclosed
EP-1589595-A2 Charge transporting polymer and production process thereof, and polymer composition for organic electroluminescence device and organic electroluminescence device JSR Corporation (JP) 2005-10-26 EP disclosed
EP-1582550-A1 Polymer for organic el element, composition for organic el element, and organic el element JSR Corporation (JP) 2005-10-05 EP disclosed
US-20050214574-A1 Polymer for organic EL element, composition for organic EL element, and organic EL element JSR CORPORATION (JP) 2005-09-29 US disclosed
US-20050054695-A1 Treating neurological disorders using selective antagonists of persistent sodium current ALLERGAN, INC. 2005-03-10 US disclosed
WO-2005020982-A2 USING SELECTIVE ANTAGONISTS OF PERSISTENT SODIUM CURRENT TO TREAT NEUROLOGICAL DISORDERS AND PAIN ALLERGAN, INC. (US) 2005-03-10 WO disclosed
US-20050049287-A1 Treating pain using selective antagonists of persistent sodium current ALLERGAN, INC. 2005-03-03 US disclosed
EP-1469057-A2 Polymer, polymer for forming organic electroluminescence device, polymer composition for organic electroluminescence device and organic electroluminescence device JSR Corporation (JP) 2004-10-20 EP disclosed
US-20040202892-A1 Polymer, polymer for forming organic electroluminescence device, polymer composition for organic electroluminescence device and organic electroluminescence device JSR CORPORATION (JP) 2004-10-14 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-20220104493-A1 HERBICIDAL COMPOUNDS DDT, ACHE, GSTO1 NPC1 3704/4885RAB9A 2178/4885ATAD2 3738/4885
US-20050049287-A1 Treating pain using selective antagonists of persistent sodium current KCNN3, KCNN2, SCN1B NPC1 1078/4885RAB9A 3434/4885ATAD2 3432/4885
US-20050054695-A1 Treating neurological disorders using selective antagonists of persistent sodium current SCN1A, KCNN2, KCNN1 NPC1 498/4885RAB9A 2352/4885ATAD2 2799/4885
US-20060106103-A1 Treating neurological disorders using selective antagonists of persistent sodium current SCN1A, KCNN2, KCNN1 NPC1 498/4885RAB9A 2352/4885ATAD2 2799/4885

“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.