SCHEMBL14647141

SCHEMBL14647141

O=C(c1cc2[nH]c(=O)c3ccccc3n2c1)N1CCC(c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
MGLL Q99685 1/20 0.45
TRPV6 Q9H1D0 1/20 0.43
SLC18A3 Q16572 1/20 0.43
TPSAB1 Q15661 1/20 0.43
HSD11B1 P28845 1/20 0.43
AVPR1A P37288 1/20 0.42
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41
AURKB Q96GD4 1/20 0.41

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
SCHEMBL14647258 0.92 NPC1 (0.46) PARP1MGLLTPSAB1HSD11B1PARP14
SCHEMBL14647174 0.89 ALDH1A1 (0.48) PARP1MGLLPARP14PARP10
SCHEMBL14647128 0.85 PARP1 (0.51) PARP1MGLL
SCHEMBL14647222 0.84 PARP1 (0.50) PARP1AURKB
SCHEMBL14647129 0.84 L3MBTL3 (0.53) PARP1
SCHEMBL14647181 0.83 PARP1 (0.56) PARP1
SCHEMBL14647161 0.83 MGLL (0.52) PARP1MGLL
SCHEMBL14647215 0.82 L3MBTL3 (0.51) PARP1
SCHEMBL14647212 0.82 PARP1 (0.61) PARP1
SCHEMBL14647172 0.82 PARP1 (0.54) PARP1

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
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
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 PARP1 1/4885CA12 4241/4885CA1 3090/4885

“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.