SCHEMBL416724

SCHEMBL416724

NN=Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
BCHE P06276 3/20 0.42
ACHE P22303 3/20 0.42
BACE1 P56817 3/20 0.42
KDM4E B2RXH2 2/20 0.40
AOC3 Q16853 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
GCGR P47871 1/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL416723 1.00 MAOB (0.47) MAOBMEN1NPC1MITFGAA
SCHEMBL8909991 1.00 MAOB (0.47) MAOBMEN1NPC1MITFGAA
SCHEMBL10664352 0.83 PTGES2 (0.43) MAOBMEN1NPC1MITFGAA
SCHEMBL2166803 0.80 KMT2A (0.49) MEN1NPC1MITFGAARAB9A
SCHEMBL21129094 0.80 MEN1 (0.43) MAOBMEN1NPC1MITFGAA
SCHEMBL24017029 0.80 MEN1 (0.43) MAOBMEN1NPC1MITFGAA
SCHEMBL2743367 0.80 KMT2A (0.49) MEN1NPC1MITFGAARAB9A
SCHEMBL2166800 0.80 KMT2A (0.49) MEN1NPC1MITFGAARAB9A
SCHEMBL15117409 0.79 PIM1 (0.47) MAOBMEN1NPC1MITFGAA
Hydrochloric Acid SCHEMBL28403578 0.78 KMT2A (0.47) MEN1NPC1MITFGAARAB9A

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999040062-A1 HYDRAZONE DERIVATIVES NOVO NORDISK A/S (DK) 1999-08-12 WO claimed
US-4649148-A Insecticidal uses of diaminoguanidine hydrazone compounds AMERICAN CYANAMID COMPANY (US) 1987-03-10 US claimed
US-4575560-A ANTIFEEDING AGENTS AMERICAN CYANAMID COMPANY (US) 1986-03-11 US claimed
CN-106035343-B Triazines and pyrimidine insecticides 韦斯塔隆公司 2019-07-02 CN disclosed
CN-106035343-A Insecticidal triazines and pyrimidines 韦斯塔隆公司 2016-10-26 CN disclosed
EP-2595965-B1 INSECTICIDAL TRIAZINES AND PYRIMIDINES VESTARON CORP (US) 2016-06-22 EP disclosed
CN-103052628-B Triazine and pyrimidine insecticides VESTARON CORP. (US) 2016-05-18 CN disclosed
US-9321735-B2 Insecticidal triazines and pyrimidines Vestaron Corporation (US) 2016-04-26 US disclosed
US-8785630-B2 Insecticidal triazines and pyrimidines Vestaron Corporation (US) 2014-07-22 US disclosed
US-20130267705-A1 Insecticidal Triazines and Pyrimidines Vestaron Corporation (US) 2013-10-10 US disclosed
US-20130150365-A1 Insecticidal Triazines and Pyrimidines Vestaron Corporation (US) 2013-06-13 US disclosed
EP-2595965-A1 INSECTICIDAL TRIAZINES AND PYRIMIDINES Vestaron Corporation (US) 2013-05-29 EP disclosed
CN-103052628-A Triazine and pyrimidine insecticides VESTARON CORP 2013-04-17 CN disclosed
US-8389718-B2 Insecticidal triazines and pyrimidines Vestaron Corporation (US) 2013-03-05 US disclosed
US-20120022066-A1 Insecticidal Triazines and Pyrimidines Vestaron Corporation (US) 2012-01-26 US disclosed
WO-2012012528-A1 INSECTICIDAL TRIAZINES AND PYRIMIDINES Vestaron Corporation (US) 2012-01-26 WO disclosed
US-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
EP-0994848-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-04-26 EP disclosed
WO-1999040062-A1 HYDRAZONE DERIVATIVES NOVO NORDISK A/S (DK) 1999-08-12 WO disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO 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 (3 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-20130150365-A1 Insecticidal Triazines and Pyrimidines TYMS, TYMP, DHX15 MAOB 1032/4885MEN1 4237/4885NPC1 4257/4885
US-20120022066-A1 Insecticidal Triazines and Pyrimidines TYMS, TYMP, DHX15 MAOB 1032/4885MEN1 4237/4885NPC1 4257/4885
US-20130267705-A1 Insecticidal Triazines and Pyrimidines TYMS, TYMP, DHX15 MAOB 1032/4885MEN1 4237/4885NPC1 4257/4885

“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.