SCHEMBL4494074

SCHEMBL4494074

O=C(NF)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.69
MEN1 O00255 4/20 0.69
CES2 O00748 1/20 0.66
CES1 P23141 1/20 0.66
TP53 P04637 1/20 0.64
POLB P06746 1/20 0.62
MAPT P10636 1/20 0.62
BLM P54132 1/20 0.62
ALDH1A1 P00352 4/20 0.62
TSHR P16473 2/20 0.62
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
THRA P10827 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
HPGD P15428 2/20 0.57
LMNA P02545 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL11060904 0.86 KMT2A (0.73) KMT2AMEN1CES2CES1TP53
SCHEMBL297043 0.84 KMT2A (0.71) KMT2AMEN1CES2CES1TP53
SCHEMBL29508878 0.84 KMT2A (0.71) KMT2AMEN1CES2CES1TP53
SCHEMBL434822 0.83 KMT2A (0.69) KMT2AMEN1CES2CES1TP53
SCHEMBL6959553 0.83 KMT2A (0.69) KMT2AMEN1CES2CES1TP53
SCHEMBL13168473 0.83 KMT2A (0.69) KMT2AMEN1CES2CES1TP53
SCHEMBL432613 0.83 KMT2A (0.69) KMT2AMEN1CES2CES1TP53
Hydrochloric Acid SCHEMBL2045145 0.83 KMT2A (0.69) KMT2AMEN1CES2CES1TP53
SCHEMBL10355 0.83 KMT2A (0.69) KMT2AMEN1CES2CES1TP53
SCHEMBL29282736 0.83 KMT2A (0.69) KMT2AMEN1CES2CES1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105820124-A Synthesizing method for binimetinib 湖南欧亚生物有限公司 2016-08-03 CN claimed
CN-110072842-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2019-07-30 CN disclosed
CN-109608443-A Heterocycleamide as protein modulator 葛兰素史密斯克莱知识产权发展有限公司 2019-04-12 CN disclosed
CN-109563081-A It can be used as the heterocycleamide class of protein modulators 葛兰素史克知识产权开发有限公司 2019-04-02 CN disclosed
CN-109071514-A Heterocyclic amides as protein modulators 葛兰素史密斯克莱知识产权发展有限公司 2018-12-21 CN disclosed
CN-105820124-A Synthesizing method for binimetinib 湖南欧亚生物有限公司 2016-08-03 CN disclosed
CN-103502216-B As pesticide and acaricidal indole carboxamides and benzimidazole-carboxamide BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-04 CN disclosed
CN-105209031-A Novel antiviral agents against HBV infection UNIV DREXEL 2015-12-30 CN disclosed
CN-102341395-B 3H-imidazo [4,5-c ] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INT 2014-07-30 CN disclosed
CN-103502216-A Indolecarboxamides and benzimidazolecarboxamides as insecticides and acaricides BAYER IP GMBH 2014-01-08 CN disclosed
US-7632865-B2 Thioamides and salts thereof and cytokine production inhibitors containing both ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-12-15 US disclosed
US-20070219215-A1 Thioamides and Salts Thereof and Cytokine Production Inhibitors Containing Both ISHIHARA SANGYO KAISHA, LTD (JP) 2007-09-20 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 (1 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-20070219215-A1 Thioamides and Salts Thereof and Cytokine Production Inhibitors Containing Both IFNG, TST, STAT6 KMT2A 1074/4885MEN1 4167/4885CES2 2324/4885

“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.