SCHEMBL439165

SCHEMBL439165

C=CCc1c(C)[nH]c2cc[nH]c(=O)c12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 3/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 5/20 0.35
HPGD P15428 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 2/20 0.33
SLC2A1 P11166 2/20 0.33
MCL1 Q07820 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL439618 0.75 ALDH1A1 (0.42) KDM4EPOLBALDH1A1GAAHSD17B10
SCHEMBL439327 0.73 SMN1; SMN2 (0.38) KDM4EPOLBALDH1A1HPGDGAA
SCHEMBL441514 0.69 SLC2A1 (0.43) KDM4ESLC2A1MEN1KMT2A
SCHEMBL438559 0.69 BRD4 (0.36) NPSR1KDM4EPOLBALDH1A1HPGD
SCHEMBL6402986 0.66 MAPT (0.59) NPSR1KDM4EPOLBALDH1A1HPGD
SCHEMBL11474236 0.62 NPSR1 (0.44) NPSR1KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL8718496 0.61 GABRA1 (0.48) KDM4EPOLBALDH1A1HPGDL3MBTL1
SCHEMBL9910161 0.61 PPARD (0.35) KDM4EALDH1A1GAA
SCHEMBL5816059 0.61 KDM4E (0.60) NPSR1KDM4EPOLBALDH1A1HPGD
Hydrochloric Acid SCHEMBL29057693 0.60 GABRA1 (0.34) KDM4EPOLBALDH1A1GAAALOX15

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
US-8513277-B2 Pyrrolo[3,2-C] pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2013-08-20 US disclosed
US-8148529-B2 Pyrrolo[3,2-C] pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2012-04-03 US disclosed
US-20120065224-A1 PYRROLO[3,2-C) PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-03-15 US disclosed
EP-1784402-B1 PYRROLO[3,2-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-08-03 EP disclosed
US-20090005409-A1 Pyrrolo[3,2-C] Pyrdine Derivatives and Processes for the Preparation Thereof YUHAN CORPORATION (KR) 2009-01-01 US disclosed
EP-1784402-A1 PYRROLO[3,2-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP disclosed
WO-2006025714-A1 PYRROLO[3,2-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 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 (2 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-20090005409-A1 Pyrrolo[3,2-C] Pyrdine Derivatives and Processes for the Preparation Thereof ATP6AP1, PPOX, PGA5 NPSR1 1956/4885KDM4E 1871/4885POLB 3000/4885
US-20120065224-A1 PYRROLO[3,2-C) PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, HPD NPSR1 1854/4885KDM4E 1016/4885POLB 3190/4885

“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.