SCHEMBL659325

SCHEMBL659325

c1ccc(C2CCC(c3ccccn3)CC2)nc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
LMNA P02545 3/20 0.48
CCR1 P32246 2/20 0.48
CCR5 P51681 2/20 0.48
CCR8 P51685 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
METAP1 P53582 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
DOHH Q9BU89 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 1/20 0.47
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
DRD4 P21917 4/20 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
SCHEMBL900225 1.00
SCHEMBL29448519 1.00
Formaldehyde SCHEMBL28000054 0.93 ALDH1A1 (0.47) KDM4ELMNACCR1CCR5CCR8
Cyanide SCHEMBL27321964 0.93 ALDH1A1 (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1515110 0.91 ALDH1A1 (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1481510 0.91 ALDH1A1 (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL9999607 0.89 ALDH1A1 (0.44) KDM4ELMNACCR1CCR5CCR8
SCHEMBL14619610 0.89 ALDH1A1 (0.44) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30066891 0.89 PDE10A (0.45) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL26242789 0.89 HSD11B1 (0.41) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215762-A1 Siloxane polymer containing tethered levofloxacin NDSU RESEARCH FOUNDATION 2009-08-27 US claimed
US-8283432-B2 Siloxane polymer containing tethered fluoroquinolone NDSU RESEARCH FOUNDATION (US) 2012-10-09 US disclosed
US-8278400-B2 Antifouling materials containing cationic polysiloxanes NDSU RESEARCH FOUNDATION (US) 2012-10-02 US disclosed
US-20120046313-A1 SILOXANE POLYMER CONTAINING TETHERED FLUOROQUINOLONE NDSU RESEARCH FOUNDATION 2012-02-23 US disclosed
US-20100204399-A1 ANTIFOULING MATERIALS CONTAINING CATIONIC POLYSILOXANES NDSU RESEARCH FOUNDATION 2010-08-12 US disclosed
US-7771833-B2 Anti-fouling materials containing cationic polysiloxanes NDSU RESEARCH FOUNDATION (US) 2010-08-10 US disclosed
US-20090215762-A1 Siloxane polymer containing tethered levofloxacin NDSU RESEARCH FOUNDATION 2009-08-27 US disclosed
EP-1879972-A4 ANTI-FOULING MATERIALS CONTAINING POLYAMINE CROSS-LINKED POLYSILOXANES NDSU RES FOUNDATION (US) 2008-10-15 EP disclosed
EP-1879972-A1 ANTI-FOULING MATERIALS CONTAINING POLYAMINE CROSS-LINKED POLYSILOXANES NDSU Research Foundation (US) 2008-01-23 EP disclosed
US-20070042199-A1 Anti-fouling materials containing cationic polysiloxanes NDSU RESEARCH FOUNDATION 2007-02-22 US disclosed
WO-2006121937-A1 ANTI-FOULING MATERIALS CONTAINING POLYAMINE CROSS-LINKED POLYSILOXANES NDSU RESEARCH FOUNDATION (US) 2006-11-16 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-20120046313-A1 SILOXANE POLYMER CONTAINING TETHERED FLUOROQUINOLONE QARS1, SEPTIN7, SMCHD1 KDM4E 465/4885LMNA 673/4885CCR1 3946/4885
US-20090215762-A1 Siloxane polymer containing tethered levofloxacin PUF60, QARS1, SEPTIN7 KDM4E 189/4885LMNA 1261/4885CCR1 3872/4885

“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.