SCHEMBL2178181

SCHEMBL2178181

CCCC[Sn](/C=C/c1nc(-c2ccc(OC)c(OC)c2)cc(N2CCCC2)n1)(CCCC)CCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
HPGD P15428 6/20 0.45
KDM4E B2RXH2 6/20 0.45
TSHR P16473 4/20 0.45
HSD17B10 Q99714 4/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
MAPT P10636 5/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PDE10A Q9Y233 1/20 0.42

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
SCHEMBL2179351 0.84 ALDH1A1 (0.57) ALDH1A1HPGDKDM4ETSHRHSD17B10
SCHEMBL2179347 0.84 ALDH1A1 (0.57) ALDH1A1HPGDKDM4ETSHRHSD17B10
SCHEMBL12408656 0.81 ALDH1A1 (0.54) ALDH1A1HPGDKDM4ETSHRHSD17B10
SCHEMBL2177333 0.74 KDM4E (0.36) ALDH1A1KDM4ESMN1; SMN2MAPTUSP2
SCHEMBL2177340 0.74 KDM4E (0.36) ALDH1A1KDM4ESMN1; SMN2MAPTUSP2
SCHEMBL2179117 0.73 PDE10A (0.73) ALDH1A1HPGDKDM4ETSHRHSD17B10
SCHEMBL2179110 0.73 PDE10A (0.73) ALDH1A1HPGDKDM4ETSHRHSD17B10
SCHEMBL12408669 0.72 PDE10A (0.57) ALDH1A1HPGDKDM4ETSHRHSD17B10
SCHEMBL2187652 0.72 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL2179746 0.72 PDE10A (0.72) ALDH1A1HPGDKDM4ETSHRHSD17B10

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-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
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 ALDH1A1 1520/4885HPGD 679/4885KDM4E 397/4885
US-20130072477-A1 TREATMENT OF PARKINSON'S DISEASE AND ENHANCEMENT OF DOPAMINE SIGNAL USING PDE 10 INHIBITOR PDE3A, PDE2A, PDE5A ALDH1A1 1085/4885HPGD 260/4885KDM4E 1887/4885

“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.