Sugi Predict

Sugi Predict / Compounds / SCHEMBL128801

SCHEMBL128801

SCHEMBL128801

COc1c(-c2ccc(-c3ccccc3)cc2)cc2c(Cc3ccc(CO)c(CO)c3)nccc2c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 8/20 0.37
▸ PDE3B Q13370 5/20 0.37
▸ PDE3A Q14432 5/20 0.37
▸ PDE4A P27815 3/20 0.37
▸ PDE4B Q07343 3/20 0.37
▸ PDE4C Q08493 3/20 0.37
▸ PDE4D Q08499 3/20 0.37
▸ USP2 O75604 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ MGAM O43451 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ SI P14410 2/20 0.37
▸ MGAM2 Q2M2H8 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ PDE2A O00408 1/20 0.37

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
SCHEMBL127901 0.85 PDE10A (0.39) PDE10APDE3BPDE3APDE4APDE4B
SCHEMBL151891 0.85 PDE10A (0.55) PDE10APDE3BPDE3APDE4APDE4B
SCHEMBL128846 0.84 PDE3B (0.42) PDE10APDE3BPDE3APDE4APDE4B
SCHEMBL14903927 0.80 KDM4E (0.38) PDE4APDE4BPDE4CPDE4DMGAM
SCHEMBL192576 0.80 TUBB4A (0.46) PDE10APDE3BPDE3APDE4APDE4B
SCHEMBL129765 0.72 RAD52 (0.39) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL14904019 0.70 POLB (0.38) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL149392 0.70 PDE10A (0.55) PDE10APDE3BPDE3APDE4APDE4B
SCHEMBL13076583 0.68 ALOX15 (0.53) ALDH1A1LMNACYP3A4SMN1; SMN2GAA
SCHEMBL150560 0.68 RAB9A (0.59) PDE10APDE3BPDE3APDE4APDE4B

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
US-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 — — US disclosed
US-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 — — US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 — — US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 — — US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 — — 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 (3 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-20130116278-A1 ANTIMICROBIAL AGENTS MRPL21, ARG1, RPP30 PDE10A 1864/4885PDE3B 1851/4885PDE3A 1652/4885
US-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L PDE10A 3330/4885PDE3B 1735/4885PDE3A 1963/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L PDE10A 3600/4885PDE3B 2124/4885PDE3A 2410/4885

“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.