SCHEMBL6790469

SCHEMBL6790469

O=C(NO)c1ccc(Cl)cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.69
MAPT P10636 1/20 0.69
HDAC1 Q13547 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
SMN1; SMN2 Q16637 3/20 0.61
TSHR P16473 1/20 0.61
CASP1 P29466 1/20 0.61
POLB P06746 3/20 0.59
ALDH1A1 P00352 2/20 0.59
THRB P10828 1/20 0.59
RECQL P46063 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
FLT1 P17948 4/20 0.57
FLT4 P35916 4/20 0.57
KDR P35968 4/20 0.57
JAK2 O60674 1/20 0.57
JAK1 P23458 1/20 0.57
TYK2 P29597 1/20 0.57

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
SCHEMBL11419345 0.85 ALDH1A1 (0.77) KDM4EMAPTSMN1; SMN2TSHRCASP1
SCHEMBL393739 0.83 KDM4E (0.69) KDM4EMAPTSMN1; SMN2TSHRCASP1
SCHEMBL1127878 0.82 KDM4E (1.00) KDM4EMAPTSMN1; SMN2TSHRCASP1
SCHEMBL1841753 0.82 P2RX1 (0.54) KDM4EMAPTHDAC1HDAC8HDAC6
SCHEMBL4154496 0.82 KDM4E (0.67) KDM4EMAPTSMN1; SMN2TSHRCASP1
SCHEMBL20359926 0.82 FLT1 (0.61) KDM4EMAPTHDAC1HDAC8HDAC6
SCHEMBL6971076 0.82 KDM4E (0.67) KDM4EMAPTSMN1; SMN2TSHRCASP1
SCHEMBL29833777 0.82 KDM4E (0.67) KDM4EMAPTSMN1; SMN2TSHRCASP1
SCHEMBL3960903 0.80 ABL1 (0.61) KDM4EMAPTHDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL21381943 0.80 KDM4E (0.96) KDM4EMAPTSMN1; SMN2TSHRCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160097-B Method for synthesizing amide by reducing N-O bond by thioacetic acid 温州大学 2024-05-28 CN disclosed
CN-114933573-B 3-substituted-1, 2, 4-oxadiazole-5-carboxylic acid derivative, and preparation method and application thereof 贵州大学 2023-10-20 CN disclosed
CN-115093377-B Haloalkyl-containing 1,2, 4-oxadiazole derivative and preparation method and application thereof 贵州大学 2023-04-07 CN disclosed
CN-115160097-A Method for reducing N-O bonding into amide by thioacetic acid 温州大学 2022-10-11 CN disclosed
CN-115093377-A Haloalkyl-containing 1,2, 4-oxadiazole derivative and preparation method and application thereof 贵州大学 2022-09-23 CN disclosed
CN-114933573-A 3-substituted-1, 2, 4-oxadiazole-5-carboxylic acid derivative, and preparation method and application thereof 贵州大学 2022-08-23 CN disclosed
US-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-02-18 US disclosed
US-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-02-18 US disclosed
US-6713629-B2 PLANT FUNGICIDE NIPPON SODA CO., LTD. (JP) 2004-03-30 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-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS HELZ, MMEL1, GAA KDM4E 1563/4885MAPT 3240/4885HDAC1 28/4885

“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.