SCHEMBL3255028

SCHEMBL3255028

S=C1NC(c2ccccc2Br)C(c2ccccc2Br)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 2/20 0.41
EGFR P00533 1/20 0.40
KDM1A O60341 3/20 0.39
HTR2C P28335 4/20 0.36
HTR2B P41595 4/20 0.36
SLC6A2 P23975 2/20 0.35
HTR2A P28223 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 1/20 0.35
NPC1 O15118 1/20 0.35
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL3255023 1.00 GAA (0.42) GAAMEN1KMT2ARAB9AEGFR
SCHEMBL3259108 0.76 MEN1 (0.48) GAAMEN1KMT2AKDM1AHTR2C
SCHEMBL3259104 0.76 MEN1 (0.48) GAAMEN1KMT2AKDM1AHTR2C
SCHEMBL3255811 0.74 P2RX7 (0.42) GAAMEN1KMT2AHTR2CHTR2B
SCHEMBL3254408 0.74 HTR2C (0.47) MEN1KMT2AHTR2CHTR2BHTR2A
SCHEMBL3258945 0.67 MEN1 (0.47) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL3259222 0.67 MEN1 (0.47) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL3258947 0.67 MEN1 (0.47) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL3257578 0.67 MEN1 (0.47) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL15247238 0.67 TRPA1 (0.36) GAAMEN1KMT2AKDM1AKDM4E

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 GAA 4232/4885MEN1 3313/4885KMT2A 3229/4885
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers P2RX3, P2RX2, P2RX5 GAA 4232/4885MEN1 3313/4885KMT2A 3229/4885

“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.