SCHEMBL2178164

SCHEMBL2178164

COC(=O)c1cc(N2CCCC2)nc(-c2ccc(OC)c(OC)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
MAPT P10636 5/20 0.47
KDM4E B2RXH2 5/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
HPGD P15428 5/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
USP2 O75604 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL2185490 0.89 KDM4E (0.49) MAPK1MAPTKDM4ENPC1RAB9A
SCHEMBL6395632 0.83 MAPT (0.57) MAPK1MAPTKDM4EKMT2AHPGD
SCHEMBL2178040 0.80 KDM4E (0.65) MAPK1MAPTKDM4EMEN1KMT2A
SCHEMBL12408682 0.80 L3MBTL1 (0.64) MAPK1MAPTKDM4EMEN1KMT2A
SCHEMBL2179510 0.78 MAPT (0.53) MAPK1MAPTKDM4EMEN1KMT2A
SCHEMBL18002947 0.78 CASP1 (0.40) MAPTCASP1
SCHEMBL21044513 0.75 MAPK1 (0.62) MAPK1MAPTKDM4EMEN1KMT2A
SCHEMBL27451576 0.75 KDM4E (0.58) MAPK1MAPTKDM4ENPC1RAB9A
SCHEMBL2178736 0.74 LMNA (0.40) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL987017 0.74 HTT (0.65) MAPK1MAPTKDM4EMEN1KMT2A

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 5 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
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 MAPK1 1211/4885MAPT 4095/4885KDM4E 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.