SCHEMBL2247155

SCHEMBL2247155

O=C(O)C=C1Cc2ccccc2C1=O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MIF P14174 5/20 0.62
MAOA P21397 3/20 0.62
MAOB P27338 2/20 0.62
KDM4E B2RXH2 4/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CYP19A1 P11511 2/20 0.51
TNF P01375 2/20 0.51
STK17B O94768 1/20 0.51
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
POLB P06746 2/20 0.50
HPGD P15428 2/20 0.50
TYR P14679 1/20 0.50
BCHE P06276 1/20 0.50
CES1 P23141 1/20 0.50
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL9431705 1.00 MIF (0.62) MIFMAOAMAOBKDM4EMEN1
SCHEMBL2247150 1.00 MIF (0.62) MIFMAOAMAOBKDM4EMEN1
SCHEMBL30835708 0.84 MAOB (0.63) MIFMAOBMEN1KMT2ACYP19A1
SCHEMBL8872375 0.84 MAOB (0.63) MIFMAOBMEN1KMT2ACYP19A1
SCHEMBL20359030 0.84 MAOB (0.63) MIFMAOBMEN1KMT2ACYP19A1
SCHEMBL8872382 0.84 MAOB (0.63) MIFMAOBMEN1KMT2ACYP19A1
SCHEMBL9431159 0.81 MIF (0.53) MIFMAOAMAOBKDM4EMEN1
SCHEMBL9431148 0.81 MIF (0.53) MIFMAOAMAOBKDM4EMEN1
SCHEMBL7195686 0.79 MIF (0.62) MIFMAOAMAOBKDM4EMEN1
SCHEMBL7195690 0.79 MIF (0.62) MIFMAOAMAOBKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486984-B2 Aminomethyl substituted bicyclic aromatic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO., KG (DE) 2013-07-16 US disclosed
US-7989451-B2 Tricyclic 1,2,4-triazine oxides and compositions for therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2011-08-02 US disclosed
US-20110144146-A1 Aminomethyl Substituted Bicyclic Aromatic Compounds Suitable for Treating Disorders That Respond to Modulation of the Dopamine D3 Receptor ABBOTT GMBH & CO. KG 2011-06-16 US disclosed
EP-1866292-B1 TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS AUCKLAND UNISERVICES LTD (NZ) 2010-12-15 EP disclosed
US-20090186886-A1 Tricyclic 1,2,4-Triazine Oxides and Compositions for Therapeutic Use in Cancer Treatments AUCKLAND UNISERVICES LIMITED (NZ) 2009-07-23 US disclosed
WO-1994014788-A1 NOVEL DERIVATIVES OF A FIVE-MEMBERED RING FUSED BENZENE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME Richter Gedeon Vegyészeti Gyár Rt. (HU) 1994-07-07 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 (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-20110144146-A1 Aminomethyl Substituted Bicyclic Aromatic Compounds Suitable for Treating Disorders That Respond to Modulation of the Dopamine D3 Receptor CHRNA3, HCRTR2, CRHR2 MIF 4452/4885MAOA 246/4885MAOB 343/4885
US-20090186886-A1 Tricyclic 1,2,4-Triazine Oxides and Compositions for Therapeutic Use in Cancer Treatments HIF1AN, HIF1A, HYOU1 MIF 4595/4885MAOA 736/4885MAOB 481/4885

“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.