SCHEMBL4091646

SCHEMBL4091646

O=C(O)CNc1ccccc1.[KH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.52
ERCC1 P07992 2/20 0.49
ERCC4 Q92889 2/20 0.49
FFAR1 O14842 1/20 0.48
ALDH1A1 P00352 5/20 0.47
LMNA P02545 2/20 0.47
PKM P14618 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
AKR1C3 P42330 1/20 0.47
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
EPHX1 P07099 1/20 0.46
TSHR P16473 1/20 0.46
EPHX2 P34913 1/20 0.46
CDK9 P50750 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL27492284 0.98 ABAT (0.50) ABATERCC1ERCC4FFAR1ALDH1A1
Hydrochloric Acid SCHEMBL3069393 0.98 ABAT (0.53) ABATERCC1ERCC4FFAR1ALDH1A1
Benzene SCHEMBL27714747 0.98 ABAT (0.53) ABATERCC1ERCC4FFAR1ALDH1A1
Hydrochloric Acid SCHEMBL2006870 0.98 ABAT (0.53) ABATERCC1ERCC4FFAR1ALDH1A1
SCHEMBL7785939 0.98 ABAT (0.53) ABATERCC1ERCC4FFAR1ALDH1A1
SCHEMBL1330698 0.98 ABAT (0.53) ABATERCC1ERCC4FFAR1ALDH1A1
SCHEMBL41828 0.98 ABAT (0.53) ABATERCC1ERCC4FFAR1ALDH1A1
SCHEMBL2573295 0.95 ABAT (0.52) ABATERCC1ERCC4FFAR1ALDH1A1
Methane SCHEMBL5247717 0.95 ABAT (0.52) ABATERCC1ERCC4FFAR1ALDH1A1
Fluoride SCHEMBL7426005 0.95 ABAT (0.52) ABATERCC1ERCC4FFAR1ALDH1A1

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107029721-B A kind of catalyst and its preparation method and application preparing vinylacetylene BEIJING HUAFU ENGINEERING CO., LTD. (CN) 2019-10-29 CN claimed
CN-107029721-A It is a kind of to prepare catalyst of vinylacetylene and its preparation method and application 北京华福工程有限公司 2017-08-11 CN claimed
CN-202376992-U Novel indigo alkali fusion continuous reaction equipment FUJUN HAN 2012-08-15 CN claimed
CN-102423679-A Novel continuous reaction equipment used in alkali fusion for production of indigo FUJUN HAN 2012-04-25 CN claimed
CN-101323577-B Method for extracting aniline and sodium carbonate and potassium carbonate from mixed alkaline residue in bipseudoindoxyl production CHONGQING DAHUA CONCRETE ADDITIVE TECHNOLOGY DEV CO LTD 2011-04-13 CN claimed
CN-100467442-C Method of preparing potassium phenylaminoacetate in industrial scale from acrylonitrile apparatus by-product formonitrile ZIBO WANCHANG TECHNOLOGY DEV C (CN) 2009-03-11 CN claimed
CN-1907955-A Method of preparing potassium phenylaminoacetate in industrial scale from acrylonitrile apparatus by-product formonitrile ZIBO WANCHANG TECHNOLOGY DEV C (CN) 2007-02-07 CN claimed
US-20240148613-A1 DENTAL POLYMERIZATION KIT SUN MEDICAL CO., LTD. (JP) 2024-05-09 US disclosed
WO-2024075641-A1 POLYMER MATERIAL FOR USE IN DENTISTRY サンメディカル株式会社 2024-04-11 WO disclosed
CN-112029493-B Composite luminescent material, preparation method and application thereof 致晶科技(北京)有限公司 2024-02-13 CN disclosed
EP-4316453-A1 DENTAL POLYMERIZATION KIT Sun Medical Co., Ltd. (JP) 2024-02-07 EP disclosed
CN-109912439-B Method for continuously and rapidly preparing DL-phenylglycine and analogue thereof by using cyanohydrin method 天宝动物营养科技股份有限公司 2022-09-23 CN disclosed
CN-217410792-U Anilino potassium acetate preparation is with cauldron of hydrolysising 内蒙古五新化工有限公司 2022-09-13 CN disclosed
EP-1938781-A1 DENTAL CURABLE COMPOSITION AND KIT FOR SUCH DENTAL CURABLE COMPOSITION SUN MEDICAL CO., LTD. (JP) 2008-07-02 EP disclosed
US-20080125441-A1 SPIRO AND DISPIRO 1,2,4-TRIOXOLANE ANTIMALARIALS MEDICINES FOR MALARIA VENTURE MMV (CH) 2008-05-29 US disclosed
CN-100365071-C Method for producing indigo by recycling unreacted raw materials RUNTU CO LTD (CN) 2008-01-30 CN disclosed
CN-1907955-A Method of preparing potassium phenylaminoacetate in industrial scale from acrylonitrile apparatus by-product formonitrile ZIBO WANCHANG TECHNOLOGY DEV C (CN) 2007-02-07 CN disclosed
CN-1814670-A Method for producing indigo by recycling unreacted raw materials RUNTU CO LTD ZHEJIANG (CN) 2006-08-09 CN disclosed
CN-1191307-C Process for preparing indigo and its intermediate TAIFENG CHEMICAL CO LTD JIANGS (CN) 2005-03-02 CN disclosed
CN-1390888-A Process for preparing indigo and its intermediate TAIFENG CHEMICAL CO LTD JIANGS (CN) 2003-01-15 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 (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-20080125441-A1 SPIRO AND DISPIRO 1,2,4-TRIOXOLANE ANTIMALARIALS DHODH, THPO, SQLE ABAT 3912/4885ERCC1 2099/4885ERCC4 2230/4885

“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.