SCHEMBL2184396

SCHEMBL2184396

C=CCC(CC=C)c1cccc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TGM2 P21980 1/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.34
HTR2A P28223 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MAOB P27338 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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
SCHEMBL1419878 0.81 IDO1 (0.41) IDO1TDO2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL2794399 0.81 PARP1 (0.40) IDO1TDO2CYP2C19ALDH1A1MAPK1
SCHEMBL7756004 0.81 IDO1 (0.38) IDO1TDO2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL933432 0.81 SLC18A3 (0.41) IDO1TDO2CYP2C19TGM2LMNA
SCHEMBL2797594 0.81 PARP1 (0.40) IDO1TDO2CYP2C19ALDH1A1MAPK1
SCHEMBL2794393 0.81 PARP1 (0.40) IDO1TDO2CYP2C19ALDH1A1MAPK1
SCHEMBL2169566 0.81 ALDH1A1 (0.44) IDO1TDO2ALDH1A1GAAMAPT
SCHEMBL24786374 0.78 SMN1; SMN2 (0.41) IDO1TDO2ALDH1A1SMN1; SMN2TGM2
SCHEMBL2170246 0.77 CYP2C19 (0.41) CYP2C19SMN1; SMN2TGM2LMNAHTR2A
SCHEMBL28595236 0.77 HDAC4 (0.40) IDO1TDO2CYP2C19SMN1; SMN2

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 10 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
US-8283358-B2 N-sulfonamido polycyclic pyrazolyl compounds ELAN PHARMACEUTICALS, INC. (US) 2012-10-09 US disclosed
US-8283358-B2 N-sulfonamido polycyclic pyrazolyl compounds ELAN PHARMACEUTICALS, INC. (US) 2012-10-09 US disclosed
CN-102203089-A N-sulfonylamino polycyclic pyrazolyl compounds ELAN PHARM INC 2011-09-28 CN 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
US-20100081680-A1 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS ELAN PHARMACEUTICALS, INC. 2010-04-01 US 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
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 IDO1 1839/4885TDO2 3934/4885CYP2C19 191/4885

“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.