SCHEMBL697345

SCHEMBL697345

COc1cc(C)ccc1COC(=O)n1ccnc1[C@@H](C)c1cccc(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
KDM4A O75164 1/20 0.38
KDM5A P29375 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
LPAR1 Q92633 5/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90B1 P14625 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL697660 0.93 NPC1 (0.38) NPC1RAB9ALPAR1MAPTALDH1A1
SCHEMBL713263 0.91 KDM5A (0.36) KDM5AKDM4CKDM5BMAPTALDH1A1
SCHEMBL713262 0.91 KDM5A (0.36) KDM5AKDM4CKDM5BMAPTALDH1A1
SCHEMBL698585 0.91 KDM4A (0.36) NPC1RAB9AKDM4AKDM5AKDM2B
SCHEMBL697715 0.90 TDP1 (0.40) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL697922 0.88 ALDH1A1 (0.39) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL698876 0.87 MAPT (0.44) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL698816 0.86 SGMS2 (0.36) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL697262 0.86 LMNA (0.32) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL698049 0.85 ALDH1A1 (0.39) NPC1RAB9AMAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 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 (4 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 NPC1 745/4885RAB9A 777/4885KDM4A 836/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 NPC1 745/4885RAB9A 777/4885KDM4A 836/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 NPC1 745/4885RAB9A 777/4885KDM4A 836/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 NPC1 745/4885RAB9A 777/4885KDM4A 836/4885

“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.