SCHEMBL2178587

SCHEMBL2178587

COc1ccc(-c2cc(N3CCCC3)nc(Cl)n2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 7/20 0.58
KDM4E B2RXH2 6/20 0.58
HPGD P15428 6/20 0.58
HSD17B10 Q99714 5/20 0.58
TSHR P16473 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
MAPK1 P28482 2/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
CYP1A2 P05177 3/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
USP2 O75604 1/20 0.54
ALOX15 P16050 1/20 0.54
ATM Q13315 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL2179347 0.83 ALDH1A1 (0.57) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL2179351 0.83 ALDH1A1 (0.57) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL12408656 0.80 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL13111301 0.78 KMT2A (0.55) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL2175274 0.77 MEN1 (0.72) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL12408679 0.76 MEN1 (0.70) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL31376319 0.76 HPGD (0.69) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL12408682 0.76 L3MBTL1 (0.64) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL12408678 0.75 KDM4E (0.74) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL13111285 0.75 HPGD (0.72) KMT2AMEN1L3MBTL1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072477-A1 TREATMENT OF PARKINSON'S DISEASE AND ENHANCEMENT OF DOPAMINE SIGNAL USING PDE 10 INHIBITOR MITSUBISHI TANABE PHARMA COPORATION (JP) 2013-03-21 US disclosed
EP-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 EP disclosed
US-8338420-B1 Treatment of Parkinson's disease and enhancement of dopamine signal using PDE 10 inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-12-25 US disclosed
EP-2342191-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE Mitsubishi Tanabe Pharma Corporation (JP) 2011-07-13 EP disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 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-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B KMT2A 2102/4885MEN1 1655/4885L3MBTL1 4808/4885
US-20130072477-A1 TREATMENT OF PARKINSON'S DISEASE AND ENHANCEMENT OF DOPAMINE SIGNAL USING PDE 10 INHIBITOR PDE3A, PDE2A, PDE5A KMT2A 2937/4885MEN1 4225/4885L3MBTL1 4514/4885

“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.