Sugi Predict

Sugi Predict / Compounds / SCHEMBL149392

SCHEMBL149392

SCHEMBL149392

COc1cc2ccnc(Cc3cc(OC)c(OC)c(OC)c3)c2cc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 11/20 0.55
▸ PDE3A Q14432 8/20 0.55
▸ PDE3B Q13370 7/20 0.55
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ CYP3A4 P08684 4/20 0.55
▸ MAPK1 P28482 4/20 0.55
▸ LMNA P02545 3/20 0.55
▸ USP2 O75604 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ HIF1A Q16665 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ TSHR P16473 2/20 0.55
▸ PDE4A P27815 2/20 0.55
▸ KCNH2 Q12809 2/20 0.55
▸ PDE4D Q08499 2/20 0.55
▸ PDE2A O00408 1/20 0.55
▸ ABCC4 O15439 1/20 0.55
▸ PDE5A O76074 1/20 0.55

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
SCHEMBL129052 0.88 PDE10A (0.52) PDE10APDE3APDE3BSMN1; SMN2CYP3A4
SCHEMBL147885 0.86 PDE10A (0.75) PDE10APDE3APDE3BSMN1; SMN2CYP3A4
SCHEMBL150560 0.85 RAB9A (0.59) PDE10APDE3APDE3BSMN1; SMN2CYP3A4
Dimethylamine SCHEMBL150792 0.84 PDE10A (0.72) PDE10APDE3APDE3BSMN1; SMN2CYP3A4
SCHEMBL192576 0.84 TUBB4A (0.46) PDE10APDE3APDE3BSMN1; SMN2CYP3A4
SCHEMBL23457662 0.83 PDE10A (0.77) PDE10APDE3APDE3BSMN1; SMN2CYP3A4
SCHEMBL129950 0.82 PDE10A (0.58) PDE10APDE3APDE3BSMN1; SMN2CYP3A4
SCHEMBL8555054 0.80 PDE10A (0.56) PDE10APDE3APDE3BSMN1; SMN2CYP3A4
SCHEMBL149447 0.79 PDE10A (0.73) PDE10APDE3APDE3BSMN1; SMN2CYP3A4
SCHEMBL151891 0.78 PDE10A (0.55) PDE10APDE3APDE3BSMN1; SMN2CYP3A4

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 8 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-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 — — US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 — — US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 — — US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 — — US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 — — US disclosed
WO-2010127307-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 — — WO disclosed
WO-2010127307-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 — — 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 (2 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-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L PDE10A 3330/4885PDE3A 1963/4885PDE3B 1735/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L PDE10A 3600/4885PDE3A 2410/4885PDE3B 2124/4885

“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.