SCHEMBL15979567

SCHEMBL15979567

CC(=O)N1CCN(c2ccc3c(c2)OCO3)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.67
HTT P42858 1/20 0.67
KMT2A Q03164 6/20 0.66
MEN1 O00255 3/20 0.66
ALDH1A1 P00352 2/20 0.66
KDM4E B2RXH2 2/20 0.66
GAA P10253 1/20 0.66
THRB P10828 1/20 0.66
ALOX15 P16050 1/20 0.66
ALOX12 P18054 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
TSHR P16473 2/20 0.56
LMNA P02545 1/20 0.56
GFER P55789 2/20 0.56
HSD17B10 Q99714 1/20 0.56
CASP6 P55212 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
ENPP2 Q13822 1/20 0.51

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
SCHEMBL25367264 0.86 TSHR (0.60) MAPTHTTKMT2AMEN1ALDH1A1
SCHEMBL3846632 0.81 SCD5 (0.58) MAPTHTTKMT2AMEN1ALDH1A1
SCHEMBL13727501 0.79 NPC1 (0.59) MAPTHTTKMT2AMEN1ALDH1A1
SCHEMBL31336691 0.79 CHIA (0.54) MAPTHTTKMT2AMEN1ALDH1A1
SCHEMBL29918269 0.78 KMT2A (1.00) MAPTHTTKMT2AALDH1A1KDM4E
SCHEMBL24434520 0.77 CMA1 (0.56) MAPTKMT2AALDH1A1KDM4ETSHR
SCHEMBL2155462 0.76 MAPT (0.57) MAPTHTTKMT2AMEN1ALDH1A1
SCHEMBL1064531 0.75 ALDH1A1 (0.71) MAPTHTTKMT2AMEN1ALDH1A1
SCHEMBL3772157 0.75 ALDH1A1 (0.51) MAPTHTTKMT2AMEN1ALDH1A1
SCHEMBL15979596 0.75 ME2 (0.64) MAPTHTTKMT2AMEN1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062061-B2 Compound having PARP inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2015-06-23 US disclosed
US-20140243320-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-08-28 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 (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-20140243320-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY PARP1, PARP11, PARP2 MAPT 3412/4885HTT 3723/4885KMT2A 969/4885

“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.