SCHEMBL2170246

SCHEMBL2170246

C=CCC(CC=C)c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.41
HTR2A P28223 1/20 0.39
PYCR1 P32322 2/20 0.38
CYP2A6 P11509 1/20 0.38
TGM2 P21980 3/20 0.33
CYP1A2 P05177 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
F13A1 P00488 1/20 0.32
LMNA P02545 1/20 0.32
TGM1 P22735 1/20 0.32
TGM3 Q08188 1/20 0.32
MMP9 P14780 2/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL5879213 0.87 HTR2A (0.47) CYP2C19HTR2APYCR1CYP1A2SMN1; SMN2
SCHEMBL5879215 0.87 HTR2A (0.47) CYP2C19HTR2APYCR1CYP1A2SMN1; SMN2
SCHEMBL6986752 0.87 HTR2A (0.47) CYP2C19HTR2APYCR1CYP1A2SMN1; SMN2
SCHEMBL21551717 0.79 GABBR2 (0.39) CYP2C19SMN1; SMN2
SCHEMBL2150854 0.79 ESR1 (0.44) CYP2C19CYP1A2SMN1; SMN2LMNA
SCHEMBL8635387 0.79 TYR (0.41) CYP2C19SMN1; SMN2ATML3MBTL1
SCHEMBL9003499 0.78 CYP2C19 (0.55) CYP2C19HTR2ACYP1A2SMN1; SMN2ATM
SCHEMBL13662800 0.77 HRH3 (0.44) CYP2C19HTR2APYCR1CYP1A2
SCHEMBL5153023 0.77 HRH3 (0.44) CYP2C19HTR2APYCR1CYP1A2
SCHEMBL15184685 0.77 HRH3 (0.44) CYP2C19HTR2APYCR1CYP1A2

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
US-8283358-B2 N-sulfonamido polycyclic pyrazolyl compounds ELAN PHARMACEUTICALS, INC. (US) 2012-10-09 US disclosed
EP-2346863-A2 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS Elan Pharmaceuticals Inc. (US) 2011-07-27 EP disclosed
US-20100081680-A1 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS ELAN PHARMACEUTICALS, INC. 2010-04-01 US disclosed
WO-2010028213-A2 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 2010-03-11 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-20100081680-A1 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS PSEN1, PSEN2, SULT1E1 CYP2C19 191/4885HTR2A 840/4885PYCR1 53/4885

“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.