SCHEMBL2178750

SCHEMBL2178750

COCOc1cc(Br)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
CA2 P00918 1/20 0.44
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
SMPD1 P17405 1/20 0.42
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
PYCR1 P32322 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL5252344 0.92 KDM4E (0.45) KDM4ETDP1CA2TSHRCYP3A4
SCHEMBL28009643 0.92 TSHR (0.41) KDM4ETDP1TSHRCYP3A4CYP2D6
SCHEMBL425797 0.83 FBP1 (0.48) KDM4ETDP1CA2SMPD1SMN1; SMN2
SCHEMBL14125147 0.82 PTGDR2 (0.42) KDM4ETDP1TSHRCYP3A4CYP2D6
SCHEMBL1965362 0.82 HPGD (0.51) KDM4ETDP1TSHRSMN1; SMN2ALDH1A1
SCHEMBL2370519 0.82 MAPK1 (0.54) TDP1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL842107 0.81 MAPT (0.50) KDM4ETDP1CYP2C19SMPD1SMN1; SMN2
SCHEMBL29521181 0.81 MAPT (0.50) KDM4ETDP1CYP2C19SMPD1SMN1; SMN2
SCHEMBL8996024 0.81 SMN1; SMN2 (0.46) KDM4ETDP1TSHRCYP2C19SMPD1
SCHEMBL20509 0.81 CA2 (0.56) KDM4ETDP1CA2TSHRCYP3A4

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-2008140150-A1 NOVEL OCTAHYDRO-INDENO DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FOOD SCIENCE CO., LTD. (KR) 2008-11-20 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 KDM4E 397/4885TDP1 998/4885CA2 125/4885

“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.