Sugi Predict

Sugi Predict / Compounds / SCHEMBL1661155

SCHEMBL1661155

SCHEMBL1661155

O=[N+]([O-])c1ccc(-c2cn3ccccc3n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.73
▸ SENP7 Q9BQF6 2/20 0.73
▸ SENP6 Q9GZR1 2/20 0.73
▸ SENP8 Q96LD8 1/20 0.73
▸ RAB9A P51151 14/20 0.62
▸ NPC1 O15118 13/20 0.62
▸ SMN1; SMN2 Q16637 8/20 0.62
▸ ALDH1A1 P00352 7/20 0.62
▸ POLB P06746 2/20 0.62
▸ LMNA P02545 2/20 0.62
▸ GAA P10253 2/20 0.62
▸ STAT3 P40763 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ HDAC6 Q9UBN7 1/20 0.62
▸ KDM4E B2RXH2 6/20 0.61
▸ MAPT P10636 6/20 0.60
▸ HTT P42858 1/20 0.60
▸ GFER P55789 3/20 0.60
▸ HPGD P15428 2/20 0.58
▸ PKM P14618 2/20 0.57

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
SCHEMBL6391407 0.85 CASP3 (1.00) CASP3SENP7SENP6SENP8RAB9A
SCHEMBL13325909 0.84 RAB9A (0.83) CASP3SENP7SENP6SENP8RAB9A
SCHEMBL10172979 0.83 RAB9A (0.86) CASP3SENP7SENP6SENP8RAB9A
SCHEMBL13325938 0.82 RAB9A (0.80) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL1988355 0.81 RAB9A (0.68) CASP3SENP7SENP6SENP8RAB9A
SCHEMBL11407545 0.81 RAB9A (0.76) CASP3SENP7SENP6SENP8RAB9A
SCHEMBL1984138 0.79 RAB9A (0.84) CASP3SENP7SENP6RAB9ANPC1
SCHEMBL13325735 0.79 RAB9A (0.75) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL29080554 0.79 RAB9A (0.74) CASP3SENP7SENP6SENP8RAB9A
SCHEMBL966793 0.79 RAB9A (0.74) CASP3SENP7SENP6SENP8RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116813618-A Amino-substituted imidazopyridine compound and synthesis method thereof 郑州泰基鸿诺医药股份有限公司 2023-09-29 — — CN claimed
WO-2024219864-A1 NOVEL COMPOUND EXHIBITING SETDB1 INHIBITORY ACTIVITY, AND USE THEREOF 주식회사 넷타겟 2024-10-24 — — WO disclosed
EP-3962915-B1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2024-09-04 — — EP disclosed
CN-116813618-A Amino-substituted imidazopyridine compound and synthesis method thereof 郑州泰基鸿诺医药股份有限公司 2023-09-29 — — CN disclosed
US-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2022-06-16 — — US disclosed
US-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2022-06-16 — — US disclosed
EP-3962915-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR Ustav Organicke Chemie A Biochemie Av Cr, V.v.i. (CZ) 2022-03-09 — — EP disclosed
WO-2020221380-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V. V. I. (CZ) 2020-11-05 — — WO disclosed
WO-2020221380-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V. V. I. (CZ) 2020-11-05 — — WO disclosed
EP-3696239-A1 USE OF EUCALYPTOL AND COMPOSITIONS CONTAINING IT Berteina-Raboin, Sabine (FR) 2020-08-19 — — EP disclosed
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 — — US disclosed
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 — — US disclosed
EP-2338059-A1 LIGANDS FOR AGGREGATED TAU MOLECULES Wista Laboratories Ltd. (SG) 2011-06-29 — — EP disclosed
US-20110098291-A1 ANTAGONIST OF SMOOTHENED Alla Chem Inc. (US) 2011-04-28 — — US disclosed
US-20110098291-A1 ANTAGONIST OF SMOOTHENED Alla Chem Inc. (US) 2011-04-28 — — US disclosed
WO-2011048018-A1 CYCLOPENTANECARBOXAMIDE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 — — WO disclosed
WO-2010034982-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. (SG) 2010-04-01 — — WO disclosed
WO-2010034982-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. (SG) 2010-04-01 — — WO disclosed
US-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 — — US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 — — 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-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES MAPT, PRNP, MAP4 CASP3 3354/4885SENP7 1488/4885SENP6 1647/4885
US-20110098291-A1 ANTAGONIST OF SMOOTHENED SMO, SHH, GLI1 CASP3 2374/4885SENP7 3023/4885SENP6 3526/4885
US-20060276433-A1 Hydrazone derivative APP, PRNP, HTT CASP3 2053/4885SENP7 1473/4885SENP6 3613/4885
US-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR NR1I2, NR1H2, NR1H4 CASP3 3340/4885SENP7 4245/4885SENP6 4277/4885

“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.