SCHEMBL3068159

SCHEMBL3068159

O=C1NCc2cc(CNC3CCCCC3)ccc2-n2cccc21

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.62
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.36
HDAC1 Q13547 1/20 0.36
ALOX15 P16050 1/20 0.35
METTL3 Q86U44 1/20 0.35
METTL14 Q9HCE5 1/20 0.35
MCHR1 Q99705 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL3072464 0.99 PARP1 (0.63) PARP1KDM4ETSHRHRH3POLB
SCHEMBL3082811 0.85 PARP1 (0.60) PARP1HDAC1METTL3METTL14PRMT5
SCHEMBL3073563 0.81 PARP1 (0.67) PARP1
SCHEMBL3068011 0.78 PARP1 (0.98) PARP1HRH3POLBALDH1A1
SCHEMBL3062499 0.77 PARP1 (1.00) PARP1HRH3POLBALDH1A1
SCHEMBL3079474 0.75 PARP1 (1.00) PARP1MCHR1
SCHEMBL8072073 0.69 PARP1 (0.58) PARP1TSHR
SCHEMBL3072839 0.68 PARP1 (0.72) PARP1TSHRMCHR1
SCHEMBL9252404 0.64 ALDH1A1 (0.68) PARP1KDM4ETSHRHRH3POLB
SCHEMBL11509945 0.64 ALDH1A1 (0.68) PARP1KDM4ETSHRHRH3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114948-B1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBVIE INC (US) 2014-06-25 EP disclosed
US-7790721-B2 Pyrroloquinoxalinone inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2010-09-07 US disclosed
EP-2114948-A2 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE Abbott Laboratories (US) 2009-11-11 EP disclosed
WO-2008082887-A2 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-10 WO disclosed
US-20080161292-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-03 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-20080161292-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 PARP1 1/4885KDM4E 4026/4885TSHR 4185/4885

“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.