Sugi Predict

Sugi Predict / Compounds / SCHEMBL5358564

SCHEMBL5358564

SCHEMBL5358564

O=C(O)c1cccc2ncc3ccccc3c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A1 P22736 1/20 0.53
▸ NR4A2 P43354 1/20 0.53
▸ NR4A3 Q92570 1/20 0.53
▸ KDM4E B2RXH2 3/20 0.50
▸ GPR3 P46089 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.47
▸ CDC25B P30305 1/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MGAM O43451 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PDE10A Q9Y233 1/20 0.44
▸ DHODH Q02127 2/20 0.43
▸ CASP1 P29466 1/20 0.42

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
SCHEMBL28032410 0.89 KDM4E (0.52) NR4A1NR4A2NR4A3KDM4EGPR3
SCHEMBL5358558 0.87 KDM4E (0.50) NR4A1NR4A2NR4A3KDM4EGPR3
SCHEMBL28177676 0.87 NR4A1 (0.53) NR4A1NR4A2NR4A3KDM4EGPR3
SCHEMBL18663455 0.86 KDM4E (0.46) NR4A1NR4A2NR4A3KDM4EGPR3
SCHEMBL8230482 0.86 PIM1 (0.50) KDM4EGPR3ALDH1A1MEN1KMT2A
SCHEMBL30075099 0.84 KDM4E (0.50) NR4A1NR4A2NR4A3KDM4EGPR3
SCHEMBL27656141 0.84 KDM4E (0.44) NR4A1NR4A2NR4A3KDM4EGPR3
SCHEMBL27656146 0.84 KDM4E (0.44) NR4A1NR4A2NR4A3KDM4EGPR3
SCHEMBL27546968 0.83 KDM4E (0.46) NR4A1NR4A2NR4A3KDM4EGPR3
SCHEMBL28327534 0.80 KDM4E (0.42) NR4A1NR4A2NR4A3KDM4EGPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1809564-A Pyrrolodihydroisoquinolines useful as PDE10 inhibitors ALTANA PHARMA AG (DE) 2006-07-26 — — CN claimed
CN-107935925-B Preparation method of polysubstituted phenanthridine compound 浙江大学 2020-06-19 — — CN disclosed
CN-107935925-A A kind of preparation method of polysubstituted triphenylene acridine compound 浙江大学 2018-04-20 — — CN disclosed
US-7217723-B2 Substituted benzothiophenes, e.g., 7Z)-7-hydroxyimino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(4-fluorophenyl)-2-hydroxyethyl]-methyl-amide; treating allergies such as atopic dermatitis, allergic coryza, bronchial asthma, hypersensitive pneumoniac and pulmonary aspergillosis. EISAI CO., LTD. (JP) 2007-05-15 — — US disclosed
CN-1809564-A Pyrrolodihydroisoquinolines useful as PDE10 inhibitors ALTANA PHARMA AG (DE) 2006-07-26 — — CN disclosed
US-20050227959-A1 Heterocyclic compound having oxime group EISAI CO., LTD. (JP) 2005-10-13 — — US disclosed
US-5869698-A 1,2-dioxetane compounds as chemiluminescent labels for organic and biological molecules BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1999-02-09 — — US disclosed
US-5795987-A LUMINESCENCE BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1998-08-18 — — US disclosed
US-5783699-A MAY BE CONJUGATED TO ANTIGENS, HAPTENS, ANTIBODIES IN IMMUNOASSAYS ABBOTT LABORATORIES (US) 1998-07-21 — — US disclosed
US-5770743-A IMMUNOASSAY BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1998-06-23 — — US disclosed
CN-1059523-A As 1 of organic and biological molecular chemistry luminous marker, 2-dioxetanes alkyl compound GOVERNORS OF WAGNE STATE UNIVE (US) 1992-03-18 — — CN disclosed
EP-0473984-A1 1,2-Dioxetane compounds as chemiluminescent labels for organic and biological molecules THE BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1992-03-11 — — EP disclosed
US-5021460-A P-alkyl phenoxy alkanols for the treatment of allergic conditions Berger, Frank M. (US) 1991-06-04 — — US disclosed
US-4816491-A Treatment of allergic conditions using indanyloxy-alkanol derivatives Berger, Frank M. (US) 1989-03-28 — — US disclosed
EP-0162975-B1 P-ALKYL OR CYCLOALKYL PHENOXY ALKANOLS AND ALKANOL ESTERS AND USE FOR THE TREATMENT OF ALLERGIC CONDITIONS PHARMACO DEVELOPMENT PARTNERS (US) 1988-07-27 — — EP disclosed
EP-0170415-B1 PHENANTHRIDINIUM ESTER AS A LABELLING COMPOUND IN LUMINOMETRIC IMMUNOASSAY Mallinckrodt, Inc. (a Delaware corporation) (US) 1988-04-20 — — EP disclosed
US-4687747-A Phenanthridinium ester as a labelling compound in luminometric immunoassay MALLINCKRODT, INC. (US) 1987-08-18 — — US disclosed
EP-0162975-A1 P-alkyl or cycloalkyl phenoxy alkanols and alkanol esters and use for the treatment of allergic conditions PHARMACO DEVELOPMENT PARTNERS (US) 1985-12-04 — — EP disclosed
US-4543362-A P-Alkyl or cycloalkyl phenoxy alkanols and alkanol esters and process for the treatment of allergic conditions Berger, Frank M. (US) 1985-09-24 — — US disclosed
US-4451474-A T-Butyl-phenoxy-alkylene esters of benzoic and nicotinic acids, compositions containing same and their antihistaminic method of use Berger, Frank M. (US) 1984-05-29 — — 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-20050227959-A1 Heterocyclic compound having oxime group STAT6, HRH4, HRH2 NR4A1 296/4885NR4A2 546/4885NR4A3 456/4885

“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.