SCHEMBL14647174

SCHEMBL14647174

O=C(c1cc2[nH]c(=O)c3ccccc3n2c1)N1CCCC(c2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.48
HIF1A Q16665 1/20 0.48
PARP1 P09874 4/20 0.48
PROKR1 Q8TCW9 2/20 0.47
MYC P01106 1/20 0.45
PARP14 Q460N5 1/20 0.44
PARP10 Q53GL7 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
KDM5A P29375 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
ROCK2 O75116 1/20 0.43
MGLL Q99685 1/20 0.43

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
SCHEMBL14647141 0.89 PARP1 (0.45) PARP1PARP14PARP10MGLL
SCHEMBL14647128 0.85 PARP1 (0.51) ALDH1A1TSHRHPGDLMNAPARP1
SCHEMBL14647258 0.81 NPC1 (0.46) ALDH1A1PARP1PARP14PARP10NPC1
SCHEMBL14647177 0.81 PARP1 (0.48) TSHRHPGDPARP1
SCHEMBL14647129 0.80 L3MBTL3 (0.53) ALDH1A1PARP1
SCHEMBL14647172 0.80 PARP1 (0.54) ALDH1A1PARP1
SCHEMBL14647131 0.79 PARP1 (0.63) PARP1
SCHEMBL14647238 0.79 DRD2 (0.43) PARP1
SCHEMBL14647181 0.79 PARP1 (0.56) PARP1
Hydrochloric Acid SCHEMBL15703303 0.78 PARP1 (0.62) 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 13 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
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 ALDH1A1 532/4885TSHR 1942/4885HPGD 2799/4885

“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.