SCHEMBL2178095

SCHEMBL2178095

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.68
ALDH1A1 P00352 7/20 0.68
KDM4E B2RXH2 6/20 0.68
TSHR P16473 5/20 0.68
HSD17B10 Q99714 4/20 0.68
MAPK1 P28482 2/20 0.68
CASP1 P29466 1/20 0.68
CASP7 P55210 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
CYP1A2 P05177 3/20 0.63
CYP3A4 P08684 2/20 0.63
CYP2C9 P11712 2/20 0.63
CYP2C19 P33261 2/20 0.63
ALOX15 P16050 2/20 0.63
USP2 O75604 1/20 0.63
ATM Q13315 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53

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
SCHEMBL12408678 0.82 KDM4E (0.74) HPGDALDH1A1KDM4ETSHRHSD17B10
SCHEMBL2179510 0.81 MAPT (0.53) HPGDALDH1A1KDM4ETSHRHSD17B10
SCHEMBL2186195 0.80 KDM4E (0.70) HPGDALDH1A1KDM4ETSHRHSD17B10
SCHEMBL2178040 0.79 KDM4E (0.65) HPGDALDH1A1KDM4ETSHRHSD17B10
SCHEMBL1734596 0.79 HPGD (0.77) HPGDALDH1A1KDM4ETSHRHSD17B10
SCHEMBL18003546 0.75 HSD17B10 (0.53) HPGDALDH1A1KDM4ETSHRHSD17B10
SCHEMBL12408676 0.73 KDM4E (0.56) HPGDALDH1A1KDM4ETSHRHSD17B10
Hydrochloric Acid SCHEMBL2179802 0.73 KDM4E (0.56) HPGDALDH1A1KDM4ETSHRHSD17B10
SCHEMBL2178587 0.71 KMT2A (0.59) HPGDALDH1A1KDM4ETSHRHSD17B10
SCHEMBL1541240 0.71 HSD17B10 (0.80) HPGDALDH1A1KDM4ETSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 EP 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
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 (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-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B HPGD 679/4885ALDH1A1 1520/4885KDM4E 397/4885

“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.