Sugi Predict

Sugi Predict / Compounds / SCHEMBL1658864

SCHEMBL1658864

SCHEMBL1658864

CN1CCN(c2ccc(-c3n[nH]c(=O)c4ccccc34)cc2N)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.61
▸ POLB P06746 2/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ HSD17B10 Q99714 2/20 0.61
▸ GAA P10253 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ LMNA P02545 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ ROCK1 Q13464 6/20 0.49
▸ ROCK2 O75116 2/20 0.49
▸ PDE4A P27815 1/20 0.48
▸ PDE4B Q07343 1/20 0.48
▸ PDE4C Q08493 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ HTT P42858 1/20 0.47
▸ NCF1 P14598 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ADRA2C P18825 1/20 0.46

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
SCHEMBL1658801 0.91 KDM4E (0.64) ALDH1A1POLBKDM4EHSD17B10GAA
SCHEMBL1658531 0.90 KDM4E (0.52) ALDH1A1POLBKDM4EHSD17B10GAA
SCHEMBL12909290 0.89 POLB (0.65) ALDH1A1POLBKDM4EHSD17B10GAA
SCHEMBL1658238 0.89 KDM4E (0.58) ALDH1A1POLBKDM4EHSD17B10GAA
SCHEMBL10149736 0.88 POLB (0.64) ALDH1A1POLBKDM4EHSD17B10GAA
SCHEMBL10149809 0.88 POLB (0.64) ALDH1A1POLBKDM4EHSD17B10GAA
SCHEMBL1658587 0.88 KDM4E (0.57) ALDH1A1POLBKDM4EHSD17B10GAA
SCHEMBL1658177 0.88 ALDH1A1 (0.57) ALDH1A1POLBKDM4EHSD17B10GAA
SCHEMBL10149810 0.87 GAA (0.60) ALDH1A1POLBKDM4EHSD17B10GAA
SCHEMBL1659111 0.87 KDM4E (0.62) ALDH1A1POLBKDM4EHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098304-A1 Small molecule inhibitors of PARP activity NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-04-28 — — US claimed
US-20110098304-A1 Small molecule inhibitors of PARP activity NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-04-28 — — US disclosed
EP-2214667-A2 SMALL MOLECULE INHIBITORS OF PARP ACTIVITY Angion Biomedica Corp. (US) 2010-08-11 — — EP disclosed
WO-2009054952-A2 SMALL MOLECULE INHIBITORS OF PARP ACTIVITY ANGION BIOMEDICA CORP. (US) 2009-04-30 — — 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-20110098304-A1 Small molecule inhibitors of PARP activity PARP1, PARP11, PARP2 ALDH1A1 1621/4885POLB 52/4885KDM4E 3283/4885

“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.