SCHEMBL3266342

SCHEMBL3266342

[O]CCCOc1ccc2ccccc2c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.66
TDP1 Q9NUW8 2/20 0.66
MAPK1 P28482 1/20 0.66
AGXT P21549 2/20 0.57
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HDAC1 Q13547 1/20 0.55
PTPN7 P35236 1/20 0.55
HTT P42858 1/20 0.54
ALOX5 P09917 1/20 0.53
HRH3 Q9Y5N1 5/20 0.53
DRD3 P35462 1/20 0.53
ALDH1A1 P00352 1/20 0.53
PPARG P37231 2/20 0.51
LMNA P02545 1/20 0.50

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
SCHEMBL574236 0.90 KDM4E (0.68) KDM4ETDP1MAPK1AGXTNPC1
SCHEMBL29429997 0.87 TDP1 (0.76) KDM4ETDP1MAPK1AGXTNPC1
SCHEMBL8565990 0.87 TDP1 (0.76) KDM4ETDP1MAPK1AGXTNPC1
SCHEMBL1859481 0.87 TDP1 (0.76) KDM4ETDP1MAPK1AGXTNPC1
SCHEMBL16902870 0.85 TDP1 (0.73) KDM4ETDP1MAPK1AGXTNPC1
SCHEMBL16902859 0.85 TDP1 (0.73) KDM4ETDP1MAPK1AGXTNPC1
SCHEMBL16902871 0.85 TDP1 (0.73) KDM4ETDP1MAPK1AGXTNPC1
SCHEMBL16902858 0.85 TDP1 (0.73) KDM4ETDP1MAPK1AGXTNPC1
SCHEMBL16902850 0.85 TDP1 (0.73) KDM4ETDP1MAPK1AGXTNPC1
SCHEMBL16902856 0.85 TDP1 (0.73) KDM4ETDP1MAPK1AGXTNPC1

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
EP-1335907-B1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB PUBL (SE) 2010-06-09 EP disclosed
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2010-03-25 US disclosed
EP-2089395-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UnibioScreen S.A. (BE) 2009-08-19 EP disclosed
WO-2008043846-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2008-04-17 WO disclosed
US-7247633-B2 Pyrimidine compounds and their use BIOVITRUM AB (SE) 2007-07-24 US disclosed
US-20040014767-A1 Novel compounds and their use BIOVITRUM AB, A SWEDISH CORPORATION 2004-01-22 US disclosed
EP-1335907-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2003-08-20 EP disclosed
US-6593330-B2 Central nervous system disorders; antiserotonine agents BIOVITRUM (SE) 2003-07-15 US disclosed
US-20020147200-A1 Novel compounds and their use PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-10-10 US disclosed
WO-2002040456-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2002-05-23 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 (3 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-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES MIF, IMPDH1, IMPDH2 KDM4E 3503/4885TDP1 1495/4885MAPK1 309/4885
US-20020147200-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 KDM4E 1971/4885TDP1 3114/4885MAPK1 2318/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 KDM4E 1971/4885TDP1 3114/4885MAPK1 2318/4885

“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.