SCHEMBL2204741

SCHEMBL2204741

O=C(O)c1[c]c([N+](=O)[O-])ccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
TDP1 Q9NUW8 4/20 0.40
TSHR P16473 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPR35 Q9HC97 1/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
CASP6 P55212 1/20 0.35
SRD5A2 P31213 1/20 0.35
APEX1 P27695 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALOX15 P16050 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
HTT P42858 1/20 0.34
HCAR3 P49019 1/20 0.34
CDK2 P24941 1/20 0.33
FBP1 P09467 1/20 0.33

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
SCHEMBL27310045 0.79 CA12 (0.39) TP53TDP1TSHRLMNAALDH1A1
SCHEMBL4577705 0.79 SLC6A2 (0.42) LMNAALDH1A1HTT
SCHEMBL58486 0.79 TSHR (0.46) TDP1TSHRGPR35LMNAALDH1A1
SCHEMBL2779103 0.76 TSHR (0.48) TP53TDP1TSHRALDH1A1CES2
SCHEMBL1360925 0.75 SMN1; SMN2 (0.40) TP53LMNAALDH1A1HTT
SCHEMBL27349155 0.75 CA12 (0.44) TSHRLMNAALDH1A1
SCHEMBL41321 0.74 GPR35 (0.45) TP53TDP1TSHRGPR35LMNA
SCHEMBL3317507 0.69 ALDH1A1 (0.41) TDP1TSHRGPR35LMNAALDH1A1
SCHEMBL2350187 0.69 TSHR (0.38) TDP1TSHRGPR35LMNAALDH1A1
SCHEMBL261451 0.69 TDP1 (0.45) TDP1TSHRL3MBTL1GPR35LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153688-A1 HYDRAZONE AMIDE DERIVATIVES AND USE THEREOF IN PREPARATION OF ANTI-OSTEOPOROSIS DRUGS SHENZHEN CELL INSPIRE PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2022-05-19 US claimed
US-20220153713-A1 HYDRAZONE AMIDE DERIVATIVE AND APPLICATION THEREOF IN PREPARATION OF MEDICAMENTS FOR PREVENTING AND TREATING ALOPECIA SHENZHEN CELL INSPIRE PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2022-05-19 US claimed
EP-3992184-A1 HYDRAZONE AMIDE DERIVATIVES AND USE THEREOF IN PREPARATION OF ANTI-OSTEOPOROSIS DRUGS Shenzhen Cell Inspire Pharmaceutical Development Co., Ltd. (CN) 2022-05-04 EP claimed
EP-3992185-A1 HYDRAZONE AMIDE DERIVATIVE AND APPLICATION THEREOF IN PREPARATION OF MEDICAMENTS FOR PREVENTING AND TREATING ALOPECIA Shenzhen Cell Inspire Pharmaceutical Development Co., Ltd. (CN) 2022-05-04 EP claimed
CN-113105411-A Hydrazone amide derivatives and pharmaceutical compositions 深圳市三启药物开发有限公司 2021-07-13 CN claimed
US-20070015918-A1 Derivatives of 1,3-diones having a herbicidal activity ISAGRO RICERCA S.R.L (IT) 2007-01-18 US claimed
CN-1882552-A Derivatives of 1,3-diones having a herbicidal activity ISAGRO RICERCA SRL (IT) 2006-12-20 CN claimed
EP-1670772-A1 DERIVATIVES OF 1,3-DIONES HAVING A HERBICIDAL ACTIVITY Isagro Ricerca S.r.l. (IT) 2006-06-21 EP claimed
WO-2005030736-A1 DERIVATIVES OF 1,3-DIONES HAVING A HERBICIDAL ACTIVITY ISAGRO RICERCA S.R.L. (IT) 2005-04-07 WO claimed
CN-113105411-B Hydrazone amide derivatives and pharmaceutical compositions 深圳市三启药物开发有限公司 2023-03-17 CN disclosed
US-20220153713-A1 HYDRAZONE AMIDE DERIVATIVE AND APPLICATION THEREOF IN PREPARATION OF MEDICAMENTS FOR PREVENTING AND TREATING ALOPECIA SHENZHEN CELL INSPIRE PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2022-05-19 US disclosed
US-20220153688-A1 HYDRAZONE AMIDE DERIVATIVES AND USE THEREOF IN PREPARATION OF ANTI-OSTEOPOROSIS DRUGS SHENZHEN CELL INSPIRE PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2022-05-19 US disclosed
EP-3992184-A1 HYDRAZONE AMIDE DERIVATIVES AND USE THEREOF IN PREPARATION OF ANTI-OSTEOPOROSIS DRUGS Shenzhen Cell Inspire Pharmaceutical Development Co., Ltd. (CN) 2022-05-04 EP disclosed
EP-3992185-A1 HYDRAZONE AMIDE DERIVATIVE AND APPLICATION THEREOF IN PREPARATION OF MEDICAMENTS FOR PREVENTING AND TREATING ALOPECIA Shenzhen Cell Inspire Pharmaceutical Development Co., Ltd. (CN) 2022-05-04 EP disclosed
CN-101203484-A Amide derivative and pesticide containing such compound MITSUI CHEMICALS INC (JP) 2008-06-18 CN disclosed
EP-1911751-A1 AMIDE DERIVATIVE AND PESTICIDE CONTAINING SUCH COMPOUND Mitsui Chemicals, Inc. (JP) 2008-04-16 EP disclosed
US-20070015918-A1 Derivatives of 1,3-diones having a herbicidal activity ISAGRO RICERCA S.R.L (IT) 2007-01-18 US disclosed
CN-1882552-A Derivatives of 1,3-diones having a herbicidal activity ISAGRO RICERCA SRL (IT) 2006-12-20 CN disclosed
EP-1670772-A1 DERIVATIVES OF 1,3-DIONES HAVING A HERBICIDAL ACTIVITY Isagro Ricerca S.r.l. (IT) 2006-06-21 EP disclosed
WO-2005030736-A1 DERIVATIVES OF 1,3-DIONES HAVING A HERBICIDAL ACTIVITY ISAGRO RICERCA S.R.L. (IT) 2005-04-07 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 (3 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-20220153688-A1 HYDRAZONE AMIDE DERIVATIVES AND USE THEREOF IN PREPARATION OF ANTI-OSTEOPOROSIS DRUGS SOST, HDAC5, PTH1R TP53 4852/4885TDP1 4527/4885TSHR 1218/4885
US-20220153713-A1 HYDRAZONE AMIDE DERIVATIVE AND APPLICATION THEREOF IN PREPARATION OF MEDICAMENTS FOR PREVENTING AND TREATING ALOPECIA FH, HDGF, HRH4 TP53 3487/4885TDP1 4725/4885TSHR 1288/4885
US-20070015918-A1 Derivatives of 1,3-diones having a herbicidal activity DDT, CYP1B1, CYP51A1 TP53 4052/4885TDP1 755/4885TSHR 2085/4885

“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.