SCHEMBL583563

SCHEMBL583563

COC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
GAA P10253 1/20 0.58
POLB P06746 2/20 0.54
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
MAPT P10636 3/20 0.53
RECQL P46063 1/20 0.52
ALOX5 P09917 1/20 0.51
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
TPMT P51580 1/20 0.50
TP53 P04637 1/20 0.50
LMNA P02545 1/20 0.49
AHR P35869 1/20 0.49

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
SCHEMBL38446 1.00 HTT (0.58) HTTSMN1; SMN2GAAPOLBMEN1
Hydrochloric Acid SCHEMBL11278994 0.98 HTT (0.57) HTTSMN1; SMN2GAAPOLBMEN1
SCHEMBL561284 0.93 HTT (0.64) HTTSMN1; SMN2GAAPOLBMEN1
SCHEMBL8413418 0.92 HTT (0.51) HTTSMN1; SMN2GAAPOLBMEN1
Methyl 3,5-Dinitrobenzoate SCHEMBL418416 0.89 SMN1; SMN2 (0.60) HTTSMN1; SMN2GAAPOLBMEN1
SCHEMBL8762477 0.88 HTT (0.59) HTTSMN1; SMN2GAAPOLBMEN1
SCHEMBL16960801 0.86 HTT (0.58) HTTSMN1; SMN2GAAPOLBMEN1
SCHEMBL4731202 0.86 HTT (0.58) HTTSMN1; SMN2GAAPOLBMEN1
SCHEMBL232779 0.85 TP53 (0.64) SMN1; SMN2POLBMEN1KMT2AMAPT
SCHEMBL30917332 0.85 SMN1; SMN2 (0.57) HTTSMN1; SMN2GAAPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115521228-B BChE and HDAC double-target inhibitor and preparation method and application thereof 中国药科大学 2023-08-22 CN claimed
CN-115521228-A BChE and HDAC double-target inhibitor and preparation method and application thereof 中国药科大学 2022-12-27 CN claimed
CN-112851537-A Contrast agent iopromide intermediate and preparation method and application thereof 施一新 2021-05-28 CN claimed
US-20250115634-A1 LIGAND, METHOD FOR PREPARING SAME, AND USE THEREOF LNCTAC CO., LTD. (CN) 2025-04-10 US disclosed
US-20240383856-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-11-21 US disclosed
US-20240376055-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-11-14 US disclosed
US-20240317708-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-09-26 US disclosed
EP-4192812-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-09-04 EP disclosed
US-20240270715-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-08-15 US disclosed
EP-4192813-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-08-14 EP disclosed
EP-4192814-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-08-07 EP disclosed
EP-0720601-B1 GASTRIN AND CCK RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2000-10-25 EP disclosed
US-6127191-A SOLID SUPPORT HAVING PLURALITY OF PENDANT SCAFFOLD MOIETIES COVALENTLY ATTACHED; FOR SYNTHESIS OF BIOACTIVE MOLECULES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-10-03 US disclosed
US-6002041-A Process for preparing di-C1 - C4 -alkyl 5-nitro-isophthalates BAYER AKTIENGESELLSCHAFT (DE) 1999-12-14 US disclosed
US-5919829-A Gastrin and cck receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1999-07-06 US disclosed
US-5795907-A Gastin and CCK receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1998-08-18 US disclosed
US-5770380-A Synthetic antibody mimics--multiple peptide loops attached to a molecular scaffold UNIVERSITY OF PITTSBURGH (US) 1998-06-23 US disclosed
WO-1998024760-A1 AMINOBENZENEDICARBOXYLIC ACID-BASED COMBINATORIAL LIBRARIES GRAYBILL TODD L (US) 1998-06-11 WO disclosed
US-4138589-A CHEMICAL INTERMEDIATES FOR COMPOUNDS USED AS X-RAY CONTRAST AGENTS MALLINCKRODT, INC. (US) 1979-02-06 US disclosed
US-4069250-A X-RAY CONTRAST AGENTS MALLINCKRODT, INC. (US) 1978-01-17 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 (5 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-20240383856-A1 INHIBITORS OF TRANSGLUTAMINASES TGM2, TGM3, TGM1 HTT 1201/4885SMN1; SMN2 2963/4885GAA 7/4885
US-20240376055-A1 INHIBITORS OF TRANSGLUTAMINASES TGM2, TGM3, TGM1 HTT 1201/4885SMN1; SMN2 2963/4885GAA 7/4885
US-20250115634-A1 LIGAND, METHOD FOR PREPARING SAME, AND USE THEREOF SIGLEC7, ASGR1, ADGRF1 HTT 4745/4885SMN1; SMN2 4428/4885GAA 1093/4885
US-20240317708-A1 INHIBITORS OF TRANSGLUTAMINASES TGM2, TGM3, TGM1 HTT 1201/4885SMN1; SMN2 2963/4885GAA 7/4885
US-20240270715-A1 INHIBITORS OF TRANSGLUTAMINASES TGM2, TGM3, TGM1 HTT 1201/4885SMN1; SMN2 2963/4885GAA 7/4885

“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.