SCHEMBL2484563

SCHEMBL2484563

NC(CCBr)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCN4A P35499 4/20 0.47
▸ DPP4 P27487 2/20 0.46
▸ F2 P00734 1/20 0.46
▸ HRH1 P35367 2/20 0.44
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ GRIN2C Q14957 1/20 0.42
▸ GRIN3A Q8TCU5 1/20 0.42
▸ HTR2A P28223 2/20 0.42
▸ TAAR1 Q96RJ0 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
SCHEMBL2781359 0.85 DPP4 (0.55) SCN4ADPP4F2HRH1GRIN2D
SCHEMBL2784864 0.85 DPP4 (0.55) SCN4ADPP4F2HRH1GRIN2D
SCHEMBL2781356 0.85 DPP4 (0.55) SCN4ADPP4F2HRH1GRIN2D
SCHEMBL27945427 0.80 SCN4A (0.50) SCN4ADPP4F2GRIN2DGRIN3B
SCHEMBL4672036 0.80 HRH1 (0.68) SCN4ADPP4F2HRH1HTR2A
SCHEMBL27866703 0.80 SCN4A (0.50) SCN4ADPP4F2GRIN2DGRIN3B
SCHEMBL4672537 0.80 HRH1 (0.68) SCN4ADPP4F2HRH1HTR2A
SCHEMBL4679643 0.80 HRH1 (0.68) SCN4ADPP4F2HRH1HTR2A
SCHEMBL17373052 0.80 SCN4A (0.50) SCN4ADPP4F2HRH1GRIN2D
Bromide SCHEMBL28853590 0.78 HRH1 (0.65) SCN4ADPP4F2HRH1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376124-A2 SMART CONTRAST AGENTS FOR MRI IMAGING Universite de Rouen (FR) 2011-10-19 — — EP disclosed
US-20110243857-A1 SMART CONTRAST AGENTS FOR MRI IMAGING UNIVERSITE DE ROUEN (FR) 2011-10-06 — — US disclosed
WO-2010070126-A2 SMART CONTRAST AGENTS FOR MRI IMAGING UNIVERSITE DE ROUEN (FR) 2010-06-24 — — WO disclosed
WO-2005061462-A2 DIARYL PYRAZOLE DERIVATIVES AND THEIR USE AS NEUROKININ-3 RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2005-07-07 — — 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 (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-20110243857-A1 SMART CONTRAST AGENTS FOR MRI IMAGING CALCOCO2, COIL, CDR2 SCN4A 1187/4885DPP4 2549/4885F2 4081/4885

“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.

Send feedback