Sugi Predict

Sugi Predict / Compounds / SCHEMBL2182437

SCHEMBL2182437

SCHEMBL2182437

NCc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.60
▸ LMNA P02545 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ ALDH1A1 P00352 5/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ LOXL2 Q9Y4K0 1/20 0.50
▸ VCAM1 P19320 1/20 0.50
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 3/20 0.47
▸ TDP1 Q9NUW8 2/20 0.44
▸ MAPT P10636 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL2084055 0.85 HSD17B10 (0.60) HSD17B10LMNASMN1; SMN2ALDH1A1LOXL2
SCHEMBL863249 0.83 HSD17B10 (0.62) HSD17B10LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL13241715 0.83 HSD17B10 (0.62) HSD17B10LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2062221 0.82 LOXL2 (0.55) HSD17B10LMNAALDH1A1KDM4ELOXL2
SCHEMBL1663175 0.81 HSD17B10 (0.60) HSD17B10LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL29906404 0.81 HSD17B10 (0.60) HSD17B10LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL842908 0.81 HSD17B10 (0.60) HSD17B10LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL8262558 0.81 HSD17B10 (0.60) HSD17B10LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL28291581 0.81 HSD17B10 (0.60) HSD17B10LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL10034862 0.81 TDP1 (0.57) HSD17B10LMNAALDH1A1KDM4ELOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117603014-A Meta-diamide compounds for controlling invertebrate pests FMC公司 2024-02-27 — — CN disclosed
EP-4183766-A1 INTERMEDIATES FOR THE PREPARATION OF META-DIAMIDE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC Corporation (US) 2023-05-24 — — EP disclosed
EP-3887354-B1 META-DIAMIDE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORP (US) 2023-01-04 — — EP disclosed
US-20210400977-A1 META-DIAMIDE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION 2021-12-30 — — US disclosed
EP-3887354-A1 META-DIAMIDE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC Corporation (US) 2021-10-06 — — EP disclosed
CN-113454065-A Metadiamide compounds for controlling invertebrate pests FMC公司 2021-09-28 — — CN disclosed
WO-2020112390-A1 META-DIAMIDE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION (US) 2020-06-04 — — WO disclosed
US-8765757-B2 3-heterocyclic substituted indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-07-01 — — US disclosed
EP-2222660-B1 3-HETEROCYCLIC SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME (US) 2014-03-26 — — EP disclosed
US-20110165118-A1 3-HETEROCYCLIC SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2011-07-07 — — US disclosed
EP-2222660-A1 3-HETEROCYCLIC SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF Schering Corporation (US) 2010-09-01 — — EP disclosed
US-7618968-B2 Aryl triazines as LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2009-11-17 — — US disclosed
WO-2009064848-A1 3-HETEROCYCLIC SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-05-22 — — WO disclosed
US-20080064700-A1 Aryl triazines as LPAAT-beta inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2008-03-13 — — US disclosed
US-7291616-B2 Aryl triazines as LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2007-11-06 — — US disclosed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 — — EP disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 — — WO disclosed
US-20030153570-A1 Aryl triazines as LPAAT-SS inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2003-08-14 — — US disclosed
WO-2003037346-A1 6-PHENYL-N-PHENYL-(1,3,5) -TRIAZINE-2,4-DIAMINE DERIVATIVES AND RELATED COMPOUNDS WITH LYSOPHPHOSPHATIDIC ACID ACYLTRANSFERASE BETA (LPAAT-BETA) INHIBITORY ACTIVITY FOR USE IN THE TREATMENT OF CANCER CELL THERAPEUTICS, INC. (US) 2003-05-08 — — 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 (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-20030153570-A1 Aryl triazines as LPAAT-SS inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 HSD17B10 887/4885LMNA 2509/4885SMN1; SMN2 4510/4885
US-20210400977-A1 META-DIAMIDE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS DDT, RDX, ACHE HSD17B10 4322/4885LMNA 3722/4885SMN1; SMN2 1345/4885
US-20110165118-A1 3-HETEROCYCLIC SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, HTR3C HSD17B10 1328/4885LMNA 2546/4885SMN1; SMN2 2758/4885
US-20080064700-A1 Aryl triazines as LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 HSD17B10 797/4885LMNA 1865/4885SMN1; SMN2 4744/4885

“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.