SCHEMBL2977014

SCHEMBL2977014

CC(=O)c1cc2cc([N+](=O)[O-])ccc2s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.66
POLB P06746 5/20 0.66
LMNA P02545 4/20 0.66
KMT2A Q03164 3/20 0.66
HPGD P15428 2/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
DYRK1A Q13627 2/20 0.61
CLK1 P49759 2/20 0.61
DYRK1B Q9Y463 1/20 0.61
ALDH1A1 P00352 3/20 0.60
GAA P10253 2/20 0.58
RAB9A P51151 4/20 0.56
TDP1 Q9NUW8 2/20 0.54
NPC1 O15118 2/20 0.54
MAPK1 P28482 1/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
HTT P42858 3/20 0.47

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
SCHEMBL23612325 0.86 POLB (0.61) SMN1; SMN2POLBLMNAKMT2AHPGD
SCHEMBL1491507 0.85 POLB (0.63) SMN1; SMN2POLBLMNAKMT2AHPGD
Hydrochloric Acid SCHEMBL16398721 0.84 SMN1; SMN2 (0.62) SMN1; SMN2POLBLMNAKMT2AHPGD
SCHEMBL5439326 0.84 SMN1; SMN2 (0.62) SMN1; SMN2POLBLMNAKMT2AHPGD
SCHEMBL312150 0.84 POLB (0.66) SMN1; SMN2POLBLMNAKMT2AHPGD
SCHEMBL6233545 0.83 KMT2A (0.73) SMN1; SMN2POLBLMNAKMT2AHPGD
SCHEMBL312497 0.83 POLB (0.69) SMN1; SMN2POLBLMNAKMT2AHPGD
SCHEMBL9486762 0.81 POLB (0.67) SMN1; SMN2POLBLMNAKMT2AHPGD
SCHEMBL11178766 0.80 LMNA (0.73) SMN1; SMN2POLBLMNAKMT2AHPGD
SCHEMBL1000630 0.80 KMT2A (0.64) SMN1; SMN2POLBLMNAKMT2AHPGD

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612413-B2 Heteroaryl compounds as inhibitors of programmed necrosis pathway, composition and method using the same ACCRO BIOSCIENCE (HK) LIMITED (CN) 2026-04-28 US disclosed
EP-4085059-B1 HETEROARYL COMPOUNDS AS INHIBITORS OF PROGRAMMED NECROSIS PATHWAY, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE HK LTD (HK) 2024-03-20 EP disclosed
US-20230121233-A1 Heteroaryl compounds as inhibitors of programmed necrosis pathway, composition and method using the same ACCRO BIOSCIENCE (HK) LIMITED (HK) 2023-04-20 US disclosed
EP-4085059-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF PROGRAMMED NECROSIS PATHWAY, COMPOSITION AND METHOD USING THE SAME Accro Bioscience (HK) Limited (HK) 2022-11-09 EP disclosed
WO-2021138694-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF PROGRAMMED NECROSIS PATHWAY, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE INC. (KY) 2021-07-08 WO disclosed
EP-1831207-B1 AMINOPYRIMIDINE COMPOUNDS AS PLK INHIBITORS AMGEN INC (US) 2012-11-14 EP disclosed
US-7858785-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 US disclosed
US-7786132-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-08-31 US disclosed
US-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-01-14 US disclosed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 US disclosed
EP-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 EP disclosed
US-20070185133-A1 Aminopyrimidine compounds and methods of use AMGEN, INC. (US) 2007-08-09 US disclosed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 WO disclosed
US-5223510-A ALKYLAMINOALKYL DERIVATIVES OF BENZOFURAN, BENZOTHIOPHENE, INDOLE AND INDOLIZINE, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SANOFI (FR) 1993-06-29 US disclosed
US-4695405-A Process for quenching fluorescence, and new cationic or amphoteric aromatic nitro compounds BAYER AKTIENGESELLSCHAFT (DE) 1987-09-22 US disclosed
EP-0163854-A2 Process for the elimination of fluorescence and cationic or amphoteric aromatic nitro compounds BAYER AG (DE) 1985-12-11 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 (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-12612413-B2 Heteroaryl compounds as inhibitors of programmed necrosis pathway, composition and method using the same CASP6, CASP3, BAX SMN1; SMN2 565/4885POLB 1407/4885LMNA 140/4885
US-20230121233-A1 Heteroaryl compounds as inhibitors of programmed necrosis pathway, composition and method using the same BAX, PDCD1, PDCD4 SMN1; SMN2 1516/4885POLB 581/4885LMNA 516/4885
US-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PLK1, TYMP, TK2 SMN1; SMN2 2096/4885POLB 16/4885LMNA 3015/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 SMN1; SMN2 2096/4885POLB 16/4885LMNA 3015/4885
US-20090082308-A1 Benzothiophene derivatives BRDT, HDAC5, BRPF3 SMN1; SMN2 1431/4885POLB 3812/4885LMNA 3991/4885

“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.