SCHEMBL2893152

SCHEMBL2893152

COC(=O)c1cc2cccc([N+](=O)[O-])c2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
HPGD P15428 2/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
POLB P06746 2/20 0.48
NPSR1 Q6W5P4 1/20 0.46
USP10 Q14694 1/20 0.43
VCAM1 P19320 1/20 0.43
MAPT P10636 2/20 0.41
SLC10A6 Q3KNW5 1/20 0.41
ACP1 P24666 1/20 0.41
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
CYP2C9 P11712 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40

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
SCHEMBL2893481 0.85 APEX1 (0.49) ALDH1A1KMT2AMEN1POLBACP1
SCHEMBL5231955 0.81 MEN1 (0.51) ALDH1A1KMT2AMEN1POLBNPSR1
SCHEMBL10990925 0.78 USP10 (0.42) ALDH1A1HPGDKMT2AMEN1POLB
SCHEMBL2895989 0.78 ALDH1A1 (0.55) ALDH1A1HPGDKMT2AMAPTLMNA
SCHEMBL15384380 0.78 HPGD (0.55) ALDH1A1HPGDKMT2AMEN1POLB
SCHEMBL5125588 0.78 HPGD (0.55) ALDH1A1HPGDNPSR1MAPTTSHR
SCHEMBL829093 0.78 SLC9A1 (0.61) ALDH1A1HPGDKMT2AMEN1POLB
SCHEMBL1608180 0.78 ERN1 (0.41) ALDH1A1HPGDKMT2AMEN1POLB
SCHEMBL5232375 0.77 MEN1 (0.44) ALDH1A1KMT2AMEN1POLBACP1
SCHEMBL13359267 0.77 NPC1 (0.49) ALDH1A1KMT2AMEN1POLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119968361-A Compounds targeting p 53Y 220 mutants 北京加科思新药研发有限公司 2025-05-09 CN disclosed
WO-2025082353-A1 POLYMORPHIC FORMS OF THE COMPOUNDS TARGETING MUTANT OF P53 AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2025-04-24 WO disclosed
US-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-12-05 US disclosed
EP-4384510-A1 COMPOUNDS TARGETING MUTANT OF P53 Jacobio Pharmaceuticals Co., Ltd. (CN) 2024-06-19 EP disclosed
CN-117813295-A Compounds targeting p53 mutants 北京加科思新药研发有限公司 2024-04-02 CN disclosed
WO-2024041503-A1 COMPOUNDS TARGETING Y220C MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-02-29 WO disclosed
WO-2023016434-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-02-16 WO disclosed
CN-111100111-B Method for preparing benzothiophene derivative 浙江京新药业股份有限公司 2021-04-23 CN disclosed
CN-111100111-A Method for preparing benzothiophene derivative 浙江京新药业股份有限公司 2020-05-05 CN disclosed
CN-111100110-A Process for preparing 7-piperazinylbenzothiophenes or salts thereof 浙江京新药业股份有限公司 2020-05-05 CN disclosed
US-7732477-B2 N-(1-azabicyclo[2.2.2]oct-3-yl)-heteroaryl carboxamides; alpha 7-nicotinic acetylcholine receptors (nAChR) agonists; improving perception, concentration, learning and memory; neuropathic pain; acute and chronic pain BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-08 US disclosed
EP-1497278-B1 HETEROCYCLIC AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2010-05-26 EP disclosed
EP-1497278-B1 HETEROCYCLIC AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2010-05-26 EP disclosed
US-7550461-B2 Benzofuran and benzothiophene compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
US-7550461-B2 Benzofuran and benzothiophene compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
US-7550461-B2 Benzofuran and benzothiophene compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
US-20050119325-A1 N-(1-azabicyclo[2.2.2]oct-3-yl)-heteroaryl carboxamides; alpha 7-nicotinic acetylcholine receptors (nAChR) agonists; improving perception, concentration, learning and memory; neuropathic pain; acute and chronic pain FMR LLC 2005-06-02 US disclosed
EP-1497278-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-01-19 EP disclosed
US-20030225053-A1 Compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-04 US disclosed
WO-2003087085-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-10-23 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-20050119325-A1 N-(1-azabicyclo[2.2.2]oct-3-yl)-heteroaryl carboxamides; alpha 7-nicotinic acetylcholine receptors (nAChR) agonists; improving perception, concentration, learning and memory; neuropathic pain; acute and chronic pain CHRNA2, CHRNA7, CHRNA3 ALDH1A1 2223/4885HPGD 2229/4885KMT2A 775/4885
US-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 TP53, TP53BP1, MDM2 ALDH1A1 2527/4885HPGD 591/4885KMT2A 3880/4885
US-20030225053-A1 Compounds useful in treating cytokine mediated diseases IL6, IL1A, IL1B ALDH1A1 336/4885HPGD 326/4885KMT2A 4314/4885

“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.