SCHEMBL853027

SCHEMBL853027

N#Cc1cc([N+](=O)[O-])ccc1N1CCC(O)CC1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.72
LMNA P02545 5/20 0.72
MAPT P10636 5/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
GAA P10253 3/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
FFAR2 O15552 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
HTT P42858 1/20 0.50
VCAM1 P19320 1/20 0.49
KDM4E B2RXH2 1/20 0.47
BCHE P06276 1/20 0.47
SLC6A9 P48067 1/20 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
SCHEMBL2042415 0.86 TDP1 (0.71) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL29788141 0.86 TDP1 (0.71) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL5794653 0.83 ALDH1A1 (0.97) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL12835677 0.83 ALDH1A1 (0.67) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL6052123 0.82 ALDH1A1 (0.74) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL26640673 0.82 ALDH1A1 (0.52) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL16825132 0.82 ALDH1A1 (0.71) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL27993656 0.82 TDP1 (0.54) ALDH1A1LMNAMAPTSMN1; SMN2GAA
Hydrochloric Acid SCHEMBL1514369 0.82 ALDH1A1 (0.65) ALDH1A1LMNAMAPTSMN1; SMN2GAA
Hydrochloric Acid SCHEMBL1514449 0.82 ALDH1A1 (0.65) ALDH1A1LMNAMAPTSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11993576-B2 N-benzyl-N-arylsulfonamide derivative and preparation and use thereof HANGZHOU YIRUI PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2024-05-28 US disclosed
CN-109651297-B N-benzyl-N-aryl sulfonamide derivative and preparation and application thereof 杭州壹瑞医药科技有限公司 2022-05-27 CN disclosed
US-20220089555-A1 N-BENZYL-N-ARYLSULFONAMIDE DERIVATIVE AND PREPARATION AND USE THEREOF HANGZHOU YIRUI PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2022-03-24 US disclosed
EP-3915978-A1 N-BENZYL-N-ARYLSULFONAMIDE DERIVATIVE AND PREPARATION AND USE THEREOF Hangzhou Yirui Pharmaceutical Technology Co., Ltd (CN) 2021-12-01 EP disclosed
US-10005777-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2018-06-26 US disclosed
US-10005777-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2018-06-26 US disclosed
US-10005777-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2018-06-26 US disclosed
US-20180030050-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2018-02-01 US disclosed
US-20180030050-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2018-02-01 US disclosed
US-20180030050-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2018-02-01 US disclosed
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-07 US disclosed
US-7932250-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-26 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
CN-1976938-A Thienopyrazole derivatives having PDE7 inhibitory activity ASUBIO PHARMA CO LTD (JP) 2007-06-06 CN disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 EP disclosed
US-7015218-B1 Amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-03-21 US disclosed
CN-1230421-C Amide compound and pharmaceutical use thereof MITSUBISHI CHEM CORP (JP) 2005-12-07 CN disclosed
EP-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
CN-1346348-A Amide compound and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL (JP) 2002-04-24 CN disclosed
EP-1176140-A1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2002-01-30 EP 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 (6 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-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B ALDH1A1 2864/4885LMNA 4644/4885MAPT 4119/4885
US-10005777-B2 Protein kinase C inhibitors and uses thereof PRKCH, PRKCA, PRKCB ALDH1A1 4361/4885LMNA 892/4885MAPT 2530/4885
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity PDE7A, PDE7B, PDE3B ALDH1A1 2864/4885LMNA 4644/4885MAPT 4119/4885
US-11993576-B2 N-benzyl-N-arylsulfonamide derivative and preparation and use thereof KCNB1, KCNB2, KCNA3 ALDH1A1 3085/4885LMNA 1276/4885MAPT 4298/4885
US-20180030050-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB ALDH1A1 4361/4885LMNA 892/4885MAPT 2530/4885
US-20220089555-A1 N-BENZYL-N-ARYLSULFONAMIDE DERIVATIVE AND PREPARATION AND USE THEREOF KCNB1, KCNB2, KCNA3 ALDH1A1 3085/4885LMNA 1276/4885MAPT 4298/4885

“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.