SCHEMBL3371602

SCHEMBL3371602

O=c1[nH]ccc2c(OCc3ccccc3)cccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.63
ROCK2 O75116 1/20 0.63
TNKS O95271 1/20 0.63
ROCK1 Q13464 1/20 0.63
PARP14 Q460N5 1/20 0.63
PARP10 Q53GL7 1/20 0.63
PARP2 Q9UGN5 1/20 0.63
PARP3 Q9Y6F1 1/20 0.63
HSD17B10 Q99714 2/20 0.56
KMT2A Q03164 1/20 0.56
ELANE P08246 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NSD2 O96028 1/20 0.48
ABL1 P00519 1/20 0.48
PPARG P37231 1/20 0.48
RIN1 Q13671 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL945488 0.82 L3MBTL1 (0.50) KMT2AL3MBTL1NSD2ABL1PPARG
SCHEMBL746079 0.80 DRD4 (0.63) KMT2AL3MBTL1TDP1MAPTMAPK1
SCHEMBL29415608 0.80 DRD4 (0.63) KMT2AL3MBTL1TDP1MAPTMAPK1
SCHEMBL23887763 0.78 LTA4H (0.54) HSD17B10KMT2AELANEL3MBTL1NSD2
SCHEMBL18548812 0.77 PARP1 (1.00) PARP1ROCK2TNKSROCK1PARP14
SCHEMBL29696002 0.77 PARP1 (1.00) PARP1ROCK2TNKSROCK1PARP14
SCHEMBL29380769 0.76 MAPT (0.57) L3MBTL1TDP1MAPTMAPK1LMNA
SCHEMBL416462 0.76 MAPT (0.57) L3MBTL1TDP1MAPTMAPK1LMNA
SCHEMBL10835155 0.76 PARP1 (0.56) PARP1ROCK2TNKSROCK1PARP14
SCHEMBL16038772 0.75 POLB (0.56) PARP1ROCK2TNKSROCK1PARP14

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
US-20140024583-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-01-23 US disclosed
US-8501746-B2 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2013-08-06 US disclosed
WO-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO disclosed
EP-2029572-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-03 EP disclosed
US-20090156615-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-06-18 US 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-20090156615-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 PARP1 1798/4885ROCK2 3930/4885TNKS 1382/4885
US-20140024583-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 PARP1 1798/4885ROCK2 3930/4885TNKS 1382/4885

“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.