SCHEMBL4023385

SCHEMBL4023385

N#Cc1c(Br)cccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
GPR35 Q9HC97 2/20 0.44
ALDH1A1 P00352 5/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
NOS1 P29475 1/20 0.39
CYP2C19 P33261 1/20 0.39
NOS2 P35228 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
S100A4 P26447 1/20 0.39

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
SCHEMBL618153 0.86 TDP1 (0.54) TDP1GPR35ALDH1A1HPGDTSHR
SCHEMBL8310679 0.83 RAB9A (0.41) TDP1GPR35ALDH1A1HPGDTSHR
SCHEMBL10724399 0.81 TDP1 (0.45) TDP1GPR35ALDH1A1HPGDTSHR
SCHEMBL220318 0.79 VCAM1 (0.47) TDP1GPR35ALDH1A1HPGDTSHR
SCHEMBL30694393 0.79 VCAM1 (0.47) TDP1GPR35ALDH1A1HPGDTSHR
SCHEMBL621936 0.78 GPR35 (0.56) TDP1GPR35ALDH1A1HPGDMAPT
SCHEMBL16959740 0.78 TDP1 (0.45) TDP1GPR35ALDH1A1HPGDTSHR
SCHEMBL2950121 0.78 VCAM1 (0.50) TDP1GPR35ALDH1A1HPGDTSHR
SCHEMBL21957846 0.78 VCAM1 (0.50) TDP1GPR35ALDH1A1HPGDTSHR
SCHEMBL700631 0.78 TSHR (0.58) TDP1GPR35ALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240101548-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHENZHEN CHIPSCREEN BIOSCIENCES CO., LTD (CN) 2024-03-28 US disclosed
EP-4257587-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shenzhen Chipscreen Biosciences Co., Ltd. (CN) 2023-10-11 EP disclosed
CN-116283954-A Hydroxamate compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-06-23 CN disclosed
CN-114901656-B Hydroximic acid ester compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-04-07 CN disclosed
CN-114901656-A Hydroximic acid ester compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2022-08-12 CN disclosed
WO-2022117016-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 深圳微芯生物科技股份有限公司 2022-06-09 WO disclosed
EP-2668169-B1 TETRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2017-11-15 EP disclosed
US-9321740-B2 Tetrazole compounds and methods of making and using same ZAFGEN, INC. (US) 2016-04-26 US disclosed
US-20130331420-A1 TETRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. (US) 2013-12-12 US disclosed
EP-2668169-A1 TETRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME Zafgen, Inc. (US) 2013-12-04 EP disclosed
CN-103402989-A Tetrazole compounds and methods of making and using same ZAFGEN CORP 2013-11-20 CN disclosed
WO-2012103333-A1 TETRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-08-02 WO disclosed
WO-2009087085-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-07-16 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 (2 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-20240101548-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF TYK2, WEE2, WEE1 TDP1 1205/4885GPR35 1916/4885ALDH1A1 3779/4885
US-20130331420-A1 TETRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME DNPEP, METAP2, TPP2 TDP1 2083/4885GPR35 1164/4885ALDH1A1 848/4885

“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.