SCHEMBL3259136

SCHEMBL3259136

O=S1(=O)N=C(c2cccc(F)c2)C(c2cccc(F)c2)=N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.45
GALR1 P47211 1/20 0.44
TAAR1 Q96RJ0 2/20 0.42
ESR2 Q92731 1/20 0.42
CYP17A1 P05093 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
KMO O15229 2/20 0.41
IDO1 P14902 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7642811 0.74 MAOB (0.43) CA12CA9KDM4EMAPT
SCHEMBL3253356 0.73 ALDH1A1 (0.40) NOTUMGALR1IDO1CA12CA9
SCHEMBL198702 0.72 TAAR1 (0.68) NOTUMTAAR1ESR2CYP17A1CYP3A4
SCHEMBL29628985 0.70 TAAR1 (0.65) NOTUMTAAR1ESR2CYP17A1CYP3A4
SCHEMBL16605628 0.70 TAAR1 (0.65) NOTUMTAAR1ESR2CYP17A1CYP3A4
SCHEMBL16605626 0.70 TAAR1 (0.65) NOTUMTAAR1ESR2CYP17A1CYP3A4
SCHEMBL30236066 0.68 TAAR1 (0.42) NOTUMTAAR1ESR2CYP17A1CYP3A4
SCHEMBL27095783 0.67 TAAR1 (0.56) NOTUMTAAR1ESR2IDO1KDM4E
Biphenyl SCHEMBL25183774 0.66 TAAR1 (0.67) NOTUMTAAR1ESR2CYP17A1CYP3A4
SCHEMBL29451178 0.66 TAAR1 (0.67) NOTUMTAAR1ESR2CYP17A1CYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741493-B2 4,5-diphenyl-2-amino-4,5-dihydro-imidazole derivatives; antiinflammatory agent, neurodegenerative diseases; inflammatory bowel disease, rheumatoid arthritis and diseases associated with central nervous system, such as Alzheimer's disease AVENTIS PHARMACEUTICALS INC. (US) 2010-06-22 US disclosed
EP-1651613-B1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMA INC (US) 2010-05-26 EP disclosed
US-20080132550-A1 HETEROCYCLIC COMPOUNDS AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2008-06-05 US disclosed
US-7326792-B2 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2008-02-05 US disclosed
EP-1651613-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS Aventis Pharmaceuticals, Inc. (US) 2006-05-03 EP disclosed
WO-2005014555-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2005-02-17 WO disclosed
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2005-02-03 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 (2 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-20080132550-A1 HETEROCYCLIC COMPOUNDS AS P2X7 ION CHANNEL BLOCKERS P2RX3, P2RX2, P2RX5 NOTUM 4634/4885GALR1 698/4885TAAR1 572/4885
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers P2RX3, P2RX2, P2RX5 NOTUM 4634/4885GALR1 698/4885TAAR1 572/4885

“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.