SCHEMBL4873317

SCHEMBL4873317

Fc1ccc(-c2nnc(-c3ccc(N4CCOCC4)cc3)o2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.62
RAB9A P51151 7/20 0.62
KDM4E B2RXH2 4/20 0.62
ALDH1A1 P00352 4/20 0.62
HPGD P15428 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
HSD17B10 Q99714 3/20 0.62
TP53 P04637 2/20 0.62
ALOX15 P16050 1/20 0.62
MAPT P10636 2/20 0.61
LMNA P02545 2/20 0.61
TSHR P16473 3/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C19 P33261 1/20 0.59
AKR1C3 P42330 1/20 0.49
AR P10275 1/20 0.48
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
PIM1 P11309 2/20 0.47
PRKDC P78527 1/20 0.47

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
SCHEMBL19131011 0.85 KDM4E (0.68) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL4972149 0.82 AKR1C3 (0.65) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL18867933 0.82 AKR1C3 (0.65) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL21117118 0.81 KDM4E (0.62) NPC1RAB9AKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL28164225 0.80 AKR1C3 (0.62) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL4880606 0.80 KDM4E (0.70) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL1453639 0.80 MAPT (0.59) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL1454092 0.79 MAPT (0.64) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL2289115 0.78 NPC1 (1.00) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL823404 0.78 SLC2A1 (0.46) NPC1RAB9AKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US claimed
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 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 (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-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK NPC1 2981/4885RAB9A 3960/4885KDM4E 2869/4885

“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.