SCHEMBL3940646

SCHEMBL3940646

Cc1nn(C)[c]c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.44
CHEK1 O14757 1/20 0.36
DAPK3 O43293 1/20 0.36
GRK5 P34947 1/20 0.36
LIMK1 P53667 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 4/20 0.32
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 2/20 0.32
HTT P42858 2/20 0.32
MITF O75030 1/20 0.32
ALPL P05186 1/20 0.32
APEX1 P27695 1/20 0.32
APOBEC3A P31941 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL19304820 0.75 PKM (0.37) PKMLMNAMAPTALDH1A1TDP1
SCHEMBL5178827 0.75 ALDH1A1 (0.35) PKMCHEK1DAPK3GRK5LIMK1
SCHEMBL19304825 0.75 PKM (0.41) PKMLMNAMAPTSMN1; SMN2
SCHEMBL11327221 0.70 SMN1; SMN2 (0.39) LMNAMAPTALDH1A1TDP1HTT
SCHEMBL19304810 0.65 KDM4E (0.43) PKMLMNAMAPTALDH1A1KDM4E
SCHEMBL2386652 0.64 PKM (0.66) PKMCHEK1DAPK3GRK5LIMK1
SCHEMBL3940061 0.62 PKM (0.36) PKMCHEK1DAPK3GRK5LIMK1
SCHEMBL4501948 0.61 PKM (1.00) PKMCHEK1DAPK3GRK5LIMK1
SCHEMBL13626328 0.61 PKM (0.61) PKMCHEK1DAPK3GRK5LIMK1
SCHEMBL1730 0.61 PKM (0.61) PKMCHEK1DAPK3GRK5LIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108477173-B Heterocyclic compounds as pesticides 拜耳农作物科学股份公司 2021-07-02 CN disclosed
US-10435374-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2019-10-08 US disclosed
US-9802899-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2017-10-31 US disclosed
US-20170305864-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2017-10-26 US disclosed
EP-2903440-B1 HETEROCYCLIC COMPOUNDS AS PEST CONTROLLING AGENTS BAYER CROPSCIENCE AG (DE) 2017-09-06 EP disclosed
US-20150239847-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2015-08-27 US disclosed
US-7538215-B2 Compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2009-05-26 US disclosed
EP-1144384-B1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2007-10-31 EP disclosed
CN-1283629-C Novel cationic oxidation bases, their use for dyeing keratin fibres, dyeing compositions and dyeing process OREAL (FR) 2006-11-08 CN disclosed
US-20050261293-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 WYETH 2005-11-24 US disclosed
US-6903088-B2 Compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2005-06-07 US disclosed
US-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-13 US disclosed
US-6479492-B1 TREATMENT OF INFLAMMATORY DISEASES IN A MAMMALIAN PATIENT ELAN PHARMACEUTICALS, INC. 2002-11-12 US disclosed
EP-1243580-A1 HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nissan Chemical Industries, Ltd. (JP) 2002-09-25 EP disclosed
CN-1344255-A Novel cationic oxidation bases, their use for dyeing keratin fibres, dyeing compsns. and dyeing methods OREAL (FR) 2002-04-10 CN 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 (5 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-10435374-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS PKM 591/4885CHEK1 2616/4885DAPK3 852/4885
US-20170305864-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS PKM 591/4885CHEK1 2616/4885DAPK3 852/4885
US-20050261293-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 PKM 3448/4885CHEK1 4385/4885DAPK3 1336/4885
US-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use DDT, CBR3, CYP1B1 PKM 4307/4885CHEK1 3125/4885DAPK3 2604/4885
US-20150239847-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS PKM 591/4885CHEK1 2616/4885DAPK3 852/4885

“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.