SCHEMBL4797676

SCHEMBL4797676

[CH2]OCc1cccc(F)c1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.64
AGXT P21549 2/20 0.64
MAOB P27338 11/20 0.53
TAAR1 Q96RJ0 3/20 0.50
NR4A2 P43354 2/20 0.47
HCAR2 Q8TDS4 1/20 0.47
MAOA P21397 1/20 0.47
PARP10 Q53GL7 1/20 0.46

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
SCHEMBL28344411 0.82 IDO1 (0.69) IDO1AGXTMAOBTAAR1NR4A2
SCHEMBL2093705 0.79 IDO1 (0.60) IDO1AGXTMAOBTAAR1NR4A2
SCHEMBL4797686 0.78 IDO1 (0.64) IDO1AGXTMAOBTAAR1NR4A2
SCHEMBL13356005 0.78 IDO1 (0.64) IDO1AGXTMAOBTAAR1NR4A2
SCHEMBL27801914 0.78 IDO1 (0.64) IDO1AGXTMAOBTAAR1NR4A2
SCHEMBL30765138 0.78 IDO1 (0.64) IDO1AGXTMAOBTAAR1NR4A2
SCHEMBL1520590 0.78 IDO1 (1.00) IDO1AGXTMAOB
SCHEMBL3665437 0.78 IDO1 (0.64) IDO1AGXTMAOBTAAR1NR4A2
SCHEMBL27532051 0.78 IDO1 (0.58) IDO1AGXTMAOBTAAR1NR4A2
Hydrochloric Acid SCHEMBL661130 0.77 IDO1 (1.00) IDO1AGXTMAOB

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-6274715-B1 SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY ABBOTT LABORATORIES 2001-08-14 US claimed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP claimed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO claimed
CN-112154167-A Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2020-12-29 CN disclosed
CN-111315828-A Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2020-06-19 CN disclosed
WO-2020021969-A1 COMPOSITION, CURED PRODUCT, OPTICAL FILTER, AND PRODUCTION METHOD FOR CURED PRODUCT 株式会社ADEKA 2020-01-30 WO disclosed
US-7342031-B2 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-11 US disclosed
US-20070293510-A1 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED ( A JAPANESE CORPORATION) (JP) 2007-12-20 US disclosed
US-7273879-B2 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-25 US disclosed
US-20060014962-A1 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-01-19 US disclosed
US-20050215578-A1 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-09-29 US disclosed
EP-1550661-A1 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-07-06 EP disclosed
EP-1475374-A1 THIADIAZOLE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-10 EP disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
US-6274715-B1 SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY ABBOTT LABORATORIES 2001-08-14 US disclosed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP disclosed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 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-20050215578-A1 Thiadiazole compounds and use thereof C5, C3AR1, TH IDO1 890/4885AGXT 1246/4885MAOB 641/4885
US-20060014962-A1 Thiadiazole compound and use thereof CBR3, TH, CYP2E1 IDO1 446/4885AGXT 1236/4885MAOB 410/4885
US-20070293510-A1 Thiadiazole compounds and use thereof C5, C3AR1, TH IDO1 912/4885AGXT 1290/4885MAOB 700/4885

“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.