SCHEMBL2180069

SCHEMBL2180069

CC(=O)OCc1nc2ccccc2c(=O)[nH]1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.63
TNKS2 Q9H2K2 1/20 0.61
ALDH1A1 P00352 1/20 0.60
MAPK1 P28482 1/20 0.60
PARP1 P09874 2/20 0.59
PARP2 Q9UGN5 1/20 0.59
LMNA P02545 2/20 0.57
KDM4E B2RXH2 2/20 0.57
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
PDE10A Q9Y233 1/20 0.54
MEN1 O00255 1/20 0.53
RECQL P46063 1/20 0.53
TSHR P16473 1/20 0.53
NPC1 O15118 2/20 0.52
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL9556162 0.82 KDM4E (0.51) RAB9AALDH1A1MAPK1PARP1LMNA
SCHEMBL9145061 0.82 RAB9A (0.70) RAB9ATNKS2ALDH1A1MAPK1PARP1
SCHEMBL9673902 0.81 MAPT (0.63) RAB9AALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL23882575 0.80 KDM4E (0.58) RAB9AALDH1A1MAPK1LMNAKDM4E
SCHEMBL9555823 0.80 ALDH1A1 (0.44) RAB9AALDH1A1MAPK1PARP1LMNA
SCHEMBL9386679 0.79 ALDH1A1 (0.44) RAB9AALDH1A1MAPK1LMNAKDM4E
SCHEMBL5158430 0.79 RAB9A (0.42) RAB9ATNKS2ALDH1A1MAPK1LMNA
SCHEMBL23073686 0.78 PARP1 (0.78) TNKS2PARP1PARP2LMNAKDM4E
SCHEMBL4743261 0.78 HSD17B10 (0.69) RAB9ATNKS2ALDH1A1MAPK1PARP1
SCHEMBL3558037 0.77 KDM4E (0.66) RAB9ATNKS2ALDH1A1PARP1PARP2

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 8 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-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 RAB9A 590/4885TNKS2 3400/4885ALDH1A1 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.