SCHEMBL3230992

SCHEMBL3230992

c1ccc(OCOCOc2ccccn2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
LMNA P02545 3/20 0.46
CCR1 P32246 2/20 0.46
CCR5 P51681 2/20 0.46
CCR8 P51685 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
METAP1 P53582 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
DOHH Q9BU89 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
NPC1 O15118 4/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 3/20 0.44
TP53 P04637 2/20 0.44
ALOX15 P16050 2/20 0.44

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
SCHEMBL4728794 0.93 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL392718 0.82 NPC1 (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4190714 0.80 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL27333271 0.79 NPC1 (0.44) KDM4ELMNACCR1CCR5CCR8
SCHEMBL15911434 0.77 NPC1 (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL3464071 0.76
SCHEMBL449878 0.76
SCHEMBL1422332 0.76
SCHEMBL2537108 0.76
SCHEMBL152133 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069244-A1 Pyridine Compounds for Combating Pests BASF SE (DE) 2010-03-18 US disclosed
EP-2086325-A1 PYRIDINE COMPOUNDS FOR COMBATING PESTS BASF SE (DE) 2009-08-12 EP disclosed
WO-2008065145-A1 PYRIDINE COMPOUNDS FOR COMBATING PESTS BASF SE (DE) 2008-06-05 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-20100069244-A1 Pyridine Compounds for Combating Pests CHRM1, PRDX1, CHRM2 KDM4E 1115/4885LMNA 3402/4885CCR1 481/4885

“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.