SCHEMBL14647178

SCHEMBL14647178

O=C(c1cc2[nH]c(=O)c3ccccc3n2c1)N1CCCN(c2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
MGLL Q99685 8/20 0.50
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TSHR P16473 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HTT P42858 2/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SLC6A7 Q99884 1/20 0.47
USP2 O75604 2/20 0.46
HPGD P15428 1/20 0.46
MAPK10 P53779 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 2/20 0.45
PARP1 P09874 1/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL14647202 0.96 MAPT (0.56) MAPTMGLLLMNASMN1; SMN2TSHR
SCHEMBL14647161 0.88 MGLL (0.52) MAPTMGLLLMNASMN1; SMN2TSHR
SCHEMBL14647180 0.87 SMN1; SMN2 (0.51) MAPTMGLLLMNASMN1; SMN2TSHR
SCHEMBL14647261 0.87 MGLL (0.49) MAPTMGLLLMNASMN1; SMN2TSHR
SCHEMBL14647218 0.86 MGLL (0.46) MAPTMGLLLMNASMN1; SMN2TSHR
SCHEMBL14647149 0.86 MAPT (0.55) MAPTMGLLLMNASMN1; SMN2TSHR
SCHEMBL14647176 0.86 MGLL (0.50) MAPTMGLLTSHRKDM4E
SCHEMBL14647128 0.85 PARP1 (0.51) MGLLLMNATSHRMEN1KMT2A
SCHEMBL14647121 0.84 PARP1 (0.48) MGLLLMNASMN1; SMN2TSHRHPGD
SCHEMBL14647260 0.84 SMN1; SMN2 (0.56) MAPTLMNASMN1; SMN2KDM4EHTT

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
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 MAPT 3412/4885MGLL 4818/4885LMNA 919/4885

“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.