SCHEMBL883828

SCHEMBL883828

[CH2]COCc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.54
AGXT P21549 2/20 0.54
MAOB P27338 8/20 0.44
APP P05067 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.42
TAAR1 Q96RJ0 1/20 0.39
NR4A2 P43354 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL5571216 0.85 USP2 (0.46) IDO1AGXTMAOBAPP
SCHEMBL7888039 0.85 IDO1 (0.64) IDO1AGXTMAOBAPPLOXL2
SCHEMBL5981060 0.82 IDO1 (0.50) IDO1AGXTMAOBAPPLOXL2
SCHEMBL5979665 0.79 IDO1 (0.47) IDO1AGXTMAOBAPP
SCHEMBL22304854 0.78 IDO1 (0.56) IDO1AGXTMAOBAPPLOXL2
Hydroxyamine SCHEMBL8923579 0.78 IDO1 (0.62) IDO1AGXTMAOBAPPLOXL2
SCHEMBL5978162 0.77 TAAR1 (0.46) IDO1AGXTMAOBLOXL2TAAR1
SCHEMBL4343354 0.76 TSHR (0.71) IDO1AGXTTSHR
SCHEMBL3149166 0.76 IDO1 (0.54) IDO1AGXTMAOB
SCHEMBL1287166 0.76 IDO1 (0.54) IDO1AGXTMAOBAPPLOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP claimed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO claimed
US-20070191395-A1 Heterocyclic compounds having antifungal activity DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US claimed
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO claimed
EP-1717238-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP claimed
WO-2020021969-A1 COMPOSITION, CURED PRODUCT, OPTICAL FILTER, AND PRODUCTION METHOD FOR CURED PRODUCT 株式会社ADEKA 2020-01-30 WO disclosed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP disclosed
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 US disclosed
EP-2061789-A2 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2009-05-27 EP disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO disclosed
WO-2008032858-A2 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-20 WO disclosed
WO-2008012546-A2 AZAPEPTIDES FOR USE IN THERAPY AGAINST INTERSTITIAL CYSTITIS SOSEI CO. LTD. (JP) 2008-01-31 WO disclosed
EP-1717238-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP disclosed
US-7015345-B2 Propionic acid derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2006-03-21 US disclosed
EP-1484316-A1 NOVEL PROPIONIC ACID DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2004-12-08 EP disclosed
US-20040072690-A1 Novel propionic acid derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2004-04-15 US disclosed
EP-0672678-B1 Azapeptide derivative FUJIREBIO KK (JP) 2000-10-25 EP disclosed
US-5965538-A FOR TREATING NERVOUS INFLAMMATION OF RESPIRATORY SYSTEMS, ASTHMA, BRONCHOSPASM FUJIREBIO INC. (JP) 1999-10-12 US disclosed
US-5837687-A BRONCHODILATORS, ANTIHISTAMINES AND ANTIINFLAMMATORY AGENTS; ASTHMA; ANTAGONIST OF NEUROKININ RECEPTORS FUJIREBIO INC. (JP) 1998-11-17 US disclosed
EP-0672678-A1 Azapeptide derivative FUJIREBIO Inc. (JP) 1995-09-20 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 (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-20040072690-A1 Novel propionic acid derivatives PNLIP, LIPC, GPR119 IDO1 4434/4885AGXT 186/4885MAOB 3357/4885
US-20070191395-A1 Heterocyclic compounds having antifungal activity ERG28, MANBA, MAN2B1 IDO1 609/4885AGXT 81/4885MAOB 1769/4885
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF NR2C2, NR4A3, NR0B2 IDO1 1716/4885AGXT 3155/4885MAOB 1907/4885

“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.