SCHEMBL4145427

SCHEMBL4145427

N=C(NO)c1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 2/20 0.50
CASP1 P29466 1/20 0.50
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
POLB P06746 3/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL29616566 1.00 SMN1; SMN2 (0.50) SMN1; SMN2TSHRCASP1KDM4EMAPT
SCHEMBL641840 0.83 ALDH1A1 (0.50) SMN1; SMN2TSHRKDM4EALDH1A1JAK2
SCHEMBL3276332 0.82 HSD17B10 (0.46) SMN1; SMN2KDM4EMAPTALDH1A1LMNA
SCHEMBL4680773 0.82 FLT1 (0.43) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL1949079 0.80 JAK2 (0.47) SMN1; SMN2TSHRCASP1KDM4EMAPT
SCHEMBL4586875 0.80 FLT1 (0.44) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL4586556 0.80 CYP11B2 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2AHDAC1
SCHEMBL4215245 0.79 JAK2 (0.49) SMN1; SMN2TSHRCASP1KDM4EMAPT
SCHEMBL30961552 0.77 GRIK1 (0.50) SMN1; SMN2TSHRCASP1KDM4EMAPT
SCHEMBL662013 0.77 GRIK1 (0.50) SMN1; SMN2TSHRCASP1KDM4EMAPT

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
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-08-18 US disclosed
EP-4034538-A1 NEW HETEROCYCLIC MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. Hoffmann-La Roche AG (CH) 2022-08-03 EP disclosed
CN-114401968-A Novel heterocyclic monoacylglycerol lipase (MAGL) inhibitors 豪夫迈·罗氏有限公司 2022-04-26 CN disclosed
US-20210094973-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2021-04-01 US disclosed
US-20210094973-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2021-04-01 US disclosed
WO-2021058445-A1 NEW HETEROCYCLIC MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2021-04-01 WO disclosed
WO-2021058445-A1 NEW HETEROCYCLIC MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2021-04-01 WO disclosed
EP-2956453-B1 3,5-DISUBSTITUTED-4,5-DIHYDRO-1,2,4-OXADIAZOLES FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2019-10-02 EP disclosed
US-9232800-B2 3,5-disubstituted-4,5-dihydro-1,2,4-oxadiazoles and compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2016-01-12 US disclosed
EP-2956453-A1 3,5-DISUBSTITUTED-4,5-DIHYDRO-1,2,4-OXADIAZOLES FOR CONTROLLING NEMATODE PESTS Monsanto Technology LLC (US) 2015-12-23 EP disclosed
CN-102993084-B Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA 2015-05-20 CN disclosed
WO-2014127195-A1 3,5-DISUBSTITUTED-4,5-DIHYDRO-1,2,4-OXADIAZOLES FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2014-08-21 WO disclosed
US-20140235439-A1 3,5-DISUBSTITUTED-4,5-DIHYDRO-1,2,4-OXADIAZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2014-08-21 US disclosed
EP-1959951-B1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-12-23 EP disclosed
US-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 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-20210094973-A1 HETEROCYCLIC COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP1A1, CYP1B1 SMN1; SMN2 1799/4885TSHR 1926/4885CASP1 1046/4885
US-20140235439-A1 3,5-DISUBSTITUTED-4,5-DIHYDRO-1,2,4-OXADIAZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS ATL3, DDT, DNPH1 SMN1; SMN2 921/4885TSHR 4846/4885CASP1 418/4885
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 SMN1; SMN2 423/4885TSHR 3515/4885CASP1 2488/4885
US-20090170907-A1 Chemical Compounds NR3C2, NR5A1, NR3C1 SMN1; SMN2 4885/4885TSHR 353/4885CASP1 3729/4885

“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.