SCHEMBL221576

SCHEMBL221576

O=[N+]([O-])c1ccc(OCc2ccccc2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.57
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 5/20 0.50
CYP19A1 P11511 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP11B1 P15538 2/20 0.50
CYP11B2 P19099 2/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PKM P14618 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 1/20 0.49
HSPB1 P04792 1/20 0.49
PIN1 Q13526 2/20 0.48
LMNA P02545 2/20 0.48
CNR1 P21554 1/20 0.47
ACHE P22303 1/20 0.47
CNR2 P34972 1/20 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
SCHEMBL29562227 1.00 GABRA5 (0.57) GABRA5POLBSMN1; SMN2MAPTCYP19A1
SCHEMBL14659339 0.87 GABRA5 (0.49) GABRA5POLBSMN1; SMN2MAPTCYP19A1
SCHEMBL1547274 0.86 HSPB1 (0.63) POLBSMN1; SMN2MAPTCYP19A1MEN1
SCHEMBL3368258 0.85 HSPB1 (0.65) GABRA5POLBSMN1; SMN2MAPTCYP19A1
SCHEMBL18429692 0.85 GAA (0.50) GABRA5SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL29151276 0.85 GABRA5 (0.52) GABRA5MAPTCYP19A1MEN1KMT2A
SCHEMBL11191676 0.85 GAA (0.50) GABRA5SMN1; SMN2MAPTCYP19A1MEN1
SCHEMBL15399370 0.84 CYP19A1 (0.56) GABRA5POLBSMN1; SMN2MAPTCYP19A1
SCHEMBL4413161 0.83 HSPB1 (0.54) GABRA5POLBSMN1; SMN2MAPTMEN1
SCHEMBL19834587 0.83 HSPB1 (0.52) POLBSMN1; SMN2MAPTCYP19A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278965-A1 NOVEL CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS COMPRISING 2 OR MORE ARYL OR HETEROARYL CONNECTED VIA LINKER AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-09-07 US disclosed
EP-4169916-A1 CARBONOHYDRAZONOYL DICYANIDE COMPOUND INCLUDING AT LEAST TWO TYPES OF ARYL OR HETEROARYL LINKED BY NOVEL LINKER, AND USE THEREOF Korea Institute of Science and Technology (KR) 2023-04-26 EP disclosed
CN-115955968-A Carbohydrazone acyldinitrile compounds comprising at least two aryl or heteroaryl groups connected by a novel linker and uses thereof 韩国科学技术研究院 2023-04-11 CN disclosed
CN-109689652-B Fused heterocyclic derivative, preparation method and medical application thereof 北京诺诚健华医药科技有限公司 2022-04-26 CN disclosed
WO-2021256902-A1 CARBONOHYDRAZONOYL DICYANIDE COMPOUND INCLUDING AT LEAST TWO TYPES OF ARYL OR HETEROARYL LINKED BY NOVEL LINKER, AND USE THEREOF 한국과학기술연구원 2021-12-23 WO disclosed
US-11046682-B2 Fused heterocyclic derivatives, their preparation methods thereof and medical uses thereof BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-06-29 US disclosed
EP-3505517-A1 FUSED HETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2019-07-03 EP disclosed
US-20190185472-A1 FUSED HETEROCYCLIC DERIVATIVES, THEIR PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2019-06-20 US disclosed
CN-109689652-A Fused heterocycle derivative, preparation method and its application medically 北京诺诚健华医药科技有限公司 2019-04-26 CN disclosed
EP-2225223-B1 ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-01-11 EP disclosed
US-20080255124-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 US disclosed
EP-1809275-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-07-25 EP disclosed
WO-2006044707-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-27 WO disclosed
CN-1025998-C 3-(1,2,5,6-tetrahydropyridyl)-pyrrolopyridines PFIZER (US) 1994-09-28 CN disclosed
EP-0379314-B1 3-(1,2,5,6-Tetrahydropyridyl)-pyrrolopyridines PFIZER (US) 1994-03-23 EP disclosed
US-5169947-A 3-(1,2,5,6-tetrahydropyridyl)-pyrrolopyridines PFIZER INC. (US) 1992-12-08 US disclosed
US-5051412-A Pharmaceutically active 3-(1,2,5,6-tetrahydropyridyl)-pyrrolopyridines PFIZER INC. (US) 1991-09-24 US disclosed
CN-1044465-A 3-(1,2,5, the 6-tetrahydro pyridyl)-pyrrolopyridine PFIZER (US) 1990-08-08 CN disclosed
WO-1990007926-A1 3-(1,2,5,6-TETRAHYDROPYRIDYL)-PYRROLOPYRIDINES PFIZER INC. (US) 1990-07-26 WO disclosed
EP-0379314-A1 3-(1,2,5,6-Tetrahydropyridyl)-pyrrolopyridines PFIZER INC. (US) 1990-07-25 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 (4 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-20230278965-A1 NOVEL CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS COMPRISING 2 OR MORE ARYL OR HETEROARYL CONNECTED VIA LINKER AND USE THEREOF AADAC, CBR3, MTCL3 GABRA5 1867/4885POLB 4215/4885SMN1; SMN2 4675/4885
US-20190185472-A1 FUSED HETEROCYCLIC DERIVATIVES, THEIR PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF IDO1, IDO2, INMT GABRA5 1547/4885POLB 4274/4885SMN1; SMN2 3030/4885
US-20080255124-A1 Chemical Compounds NR3C2, NR5A1, NR3C1 GABRA5 324/4885POLB 4278/4885SMN1; SMN2 4885/4885
US-11046682-B2 Fused heterocyclic derivatives, their preparation methods thereof and medical uses thereof IDO1, IDO2, INMT GABRA5 1547/4885POLB 4274/4885SMN1; SMN2 3030/4885

“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.