SCHEMBL2179510

SCHEMBL2179510

COc1ccc(-c2nc(CO)cc(N3CCCC3)n2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 4/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 3/20 0.47
TSHR P16473 3/20 0.47
MAPK1 P28482 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
CYP3A4 P08684 2/20 0.46
ATM Q13315 2/20 0.46
USP2 O75604 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL12408682 0.82 L3MBTL1 (0.64) MAPTKMT2AALDH1A1HSD17B10KDM4E
SCHEMBL2178095 0.81 HPGD (0.68) MAPTKMT2AALDH1A1HSD17B10KDM4E
SCHEMBL2185490 0.79 KDM4E (0.49) MAPTKMT2AALDH1A1HSD17B10KDM4E
SCHEMBL18003927 0.79 KMT2A (0.69) MAPTKMT2AALDH1A1HSD17B10KDM4E
SCHEMBL2178164 0.78 MAPK1 (0.49) MAPTKMT2AALDH1A1HSD17B10KDM4E
SCHEMBL18003557 0.78 MAPT (0.70) MAPTKMT2AALDH1A1HSD17B10KDM4E
SCHEMBL18002873 0.76 CASP1 (0.50) MAPTKMT2AALDH1A1HPGDMAPK1
SCHEMBL12408681 0.73 MAPT (0.52) MAPTKMT2AALDH1A1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL2177572 0.72 MAPT (0.52) MAPTKMT2AALDH1A1HSD17B10KDM4E
SCHEMBL2178587 0.72 KMT2A (0.59) MAPTKMT2AALDH1A1HSD17B10KDM4E

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 MAPT 4095/4885KMT2A 2102/4885ALDH1A1 1520/4885

“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.