SCHEMBL5490683

SCHEMBL5490683

O=C1NS(=O)(=O)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 6/20 0.77
CA12 O43570 5/20 0.77
CHEK1 O14757 1/20 0.56
DAPK3 O43293 1/20 0.56
MAP4K4 O95819 1/20 0.56
RET P07949 1/20 0.56
PIM1 P11309 1/20 0.56
LTK P29376 1/20 0.56
GRK5 P34947 1/20 0.56
CSNK1A1 P48729 1/20 0.56
CDK8 P49336 1/20 0.56
PRKX P51817 1/20 0.56
LIMK1 P53667 1/20 0.56
CDK5 Q00535 1/20 0.56
ACVR1 Q04771 1/20 0.56
PTK2 Q05397 1/20 0.56
TYRO3 Q06418 1/20 0.56
PRKAA1 Q13131 1/20 0.56
DYRK1A Q13627 1/20 0.56
NTRK3 Q16288 1/20 0.56

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
SCHEMBL30834865 1.00 CA9 (0.77) CA9CA12CHEK1DAPK3MAP4K4
SCHEMBL1957257 0.87 CA12 (1.00) CA9CA12CHEK1DAPK3MAP4K4
SCHEMBL29876943 0.87 CA12 (1.00) CA9CA12CHEK1DAPK3MAP4K4
SCHEMBL9302358 0.73 CA9 (0.54) CA9CA12CYP3A4TDP1CAPN9
SCHEMBL8879523 0.72 KMT2A (0.62) CA9CA12LRRK2CYP3A4TDP1
SCHEMBL3988311 0.72 CA12 (0.73) CA9CA12CHEK1DAPK3MAP4K4
SCHEMBL1684375 0.72 CHEK1 (0.62) CA9CA12CHEK1DAPK3MAP4K4
SCHEMBL32689426 0.72 CHEK1 (0.62) CA9CA12CHEK1DAPK3MAP4K4
SCHEMBL3984666 0.72 RET (1.00) CA9CA12CHEK1DAPK3MAP4K4
SCHEMBL2208975 0.72 CHEK1 (0.62) CA9CA12CHEK1DAPK3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119968127-A Animal food compositions with improved palatability and customizable properties and methods of making the same 玛氏公司 2025-05-09 CN disclosed
EP-4323066-A1 MEK INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2024-02-21 EP disclosed
CN-117580835-A MEK inhibitors and uses thereof 医肯纳肿瘤学公司 2024-02-20 CN disclosed
WO-2022221866-A1 MEK INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-10-20 WO disclosed
EP-3606921-B1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. INVENTIVA (FR) 2022-06-01 EP disclosed
CN-111499592-A Synthesis method of 5-aminomethyl saccharin 江苏省农用激素工程技术研究中心有限公司 2020-08-07 CN disclosed
US-20200115353-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA INVENTIVA (FR) 2020-04-16 US disclosed
CN-110709396-A Novel compound inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of malignant mesothelioma 伊文蒂瓦公司 2020-01-17 CN disclosed
EP-2513229-B1 DISPERSE AZO DYES, A PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF HUNTSMAN ADV MAT SWITZERLAND (CH) 2014-04-23 EP disclosed
EP-2513229-A1 DISPERSE AZO DYES, A PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF Huntsman Advanced Materials (Switzerland) GmbH (CH) 2012-10-24 EP disclosed
US-20060100103-A1 Toning agents for use in thermographic recording materials AGFA-GEVAERT (BE) 2006-05-11 US disclosed
EP-0646112-A4 TERTIARY AND SECONDARY AMINES AS ALPHA-2 ANTAGONISTS AND SEROTONIN UPTAKE INHIBITORS. ABBOTT LAB (US) 1997-04-02 EP disclosed
EP-0646112-A1 TERTIARY AND SECONDARY AMINES AS ALPHA-2 ANTAGONISTS AND SEROTONIN UPTAKE INHIBITORS ABBOTT LABORATORIES (US) 1995-04-05 EP disclosed
US-5288749-A Treating central nervous system or cardiovascular disorders ABBOTT LABORATORIES (US) 1994-02-22 US disclosed
WO-1993012754-A2 TERTIARY AND SECONDARY AMINES AS ALPHA-2 ANTAGONISTS AND SEROTONIN UPTAKE INHIBITORS ABBOTT LABORATORIES (US) 1993-07-08 WO disclosed
US-4258129-A IMPROVE GREEN SHELF LIFE FUJI PHOTO FILM CO., LTD. (JP) 1981-03-24 US disclosed
US-4211839-A SILVER HALIDE AND ORGANIC SILVER SALT PREPARED IN AN IMINO COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1980-07-08 US disclosed
US-4144072-A CONTAINING A PHTHALAZINONE AND A PHTHALIMIDE FUJI PHOTO FILM CO., LTD. (JP) 1979-03-13 US disclosed
US-4125403-A ORGANIC SILVER SALT, SILVER HALIDE, REDUCING AGENT, PHTHALAZINONE, AND A BENZOXAZINEDIONE OR QUINAZOLINEDIONE FUJI PHOTO FILM CO., LTD. 1978-11-14 US disclosed
US-4057555-A FROM PHOSGENE AND O-SULFOBENZOIC ACID, DIMETHYLFORMAMIDE, ALCOHOL, AMMONIA IHARA CHEMICAL INDUSTRY CO., LTD. (JA) 1977-11-08 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 (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-20200115353-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA YAP1, TEAD2, TEAD1 CA9 2285/4885CA12 4126/4885CHEK1 243/4885

“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.