SCHEMBL14647267

SCHEMBL14647267

O=C(c1cc2[nH]c(=O)c3ccccc3n2c1)N1CCN(c2ccccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
POLB P06746 2/20 0.52
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 1/20 0.51
SLC6A7 Q99884 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HPGD P15428 1/20 0.51
PARP1 P09874 2/20 0.51
HSD17B10 Q99714 2/20 0.50
ALOX15 P16050 1/20 0.50
MAPK10 P53779 1/20 0.49
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
TNF P01375 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NOD2 Q9HC29 1/20 0.48
NOD1 Q9Y239 1/20 0.48

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
SCHEMBL14647179 0.90 ALDH1A1 (0.50) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL14647175 0.87 MGLL (0.49) ALDH1A1PARP1HSD17B10ALOX15SMN1; SMN2
SCHEMBL14647121 0.85 PARP1 (0.48) ALDH1A1HPGDPARP1SMN1; SMN2
SCHEMBL14647161 0.84 MGLL (0.52) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL14647163 0.83 SLC6A7 (0.53) SLC6A7PARP1
SCHEMBL14647128 0.83 PARP1 (0.51) MEN1KMT2AALDH1A1HPGDPARP1
SCHEMBL14647270 0.82 MGLL (0.46) MEN1KMT2AALDH1A1PARP1
SCHEMBL14647212 0.82 PARP1 (0.61) MEN1KMT2APOLBHPGDPARP1
SCHEMBL15979570 0.81 ALOX15 (0.48) MEN1KMT2APOLBALDH1A1MAPK1
SCHEMBL14647149 0.81 MAPT (0.55) ALDH1A1MAPK1HPGDHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2733144-B1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO LTD (JP) 2016-01-06 EP claimed
US-9062061-B2 Compound having PARP inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2015-06-23 US claimed
US-20140243320-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-08-28 US claimed
EP-2733144-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2014-05-21 EP claimed
CN-103703002-B There is PARP and suppress active new compound SANTEN PHARMACEUTICAL CO.,LTD. (JP) 2016-05-11 CN disclosed
EP-2733144-B1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO LTD (JP) 2016-01-06 EP disclosed
US-9062061-B2 Compound having PARP inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2015-06-23 US disclosed
US-9062061-B2 Compound having PARP inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2015-06-23 US disclosed
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
US-20140243320-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-08-28 US disclosed
US-20140243320-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-08-28 US disclosed
EP-2733144-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2014-05-21 EP disclosed
WO-2013008872-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY 参天製薬株式会社 (JP) 2013-01-17 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-20140243320-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY PARP1, PARP11, PARP2 KDM4E 1206/4885MEN1 3875/4885KMT2A 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.