SCHEMBL3900329

SCHEMBL3900329

NC/C=C/c1ccc(-c2ccccn2)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.55
NPC1 O15118 7/20 0.55
RAB9A P51151 6/20 0.55
MAPT P10636 5/20 0.55
GLA P06280 2/20 0.55
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 4/20 0.39

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
SCHEMBL3900333 1.00 KDM4E (0.55) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL6850817 0.86 KDM4E (0.56) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL6850810 0.86 KDM4E (0.56) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL13722766 0.81 KDM4E (0.50) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL6022618 0.80 KDM4E (0.52) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL6022622 0.80 KDM4E (0.52) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL6156973 0.79 KDM4E (0.60) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL6156977 0.79 KDM4E (0.60) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL6877010 0.76 KDM4E (0.56) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL6877002 0.76 KDM4E (0.56) KDM4ENPC1RAB9AMAPTGLA

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
EP-1501846-B1 TRICYCLIC MACROLIDE ANTIBACTERIAL COMPOUNDS ABBOTT LAB (US) 2009-03-18 EP disclosed
US-6992069-B2 Tricyclic macrolide antibacterial compounds ABBVIE INC. 2006-01-31 US disclosed
US-20040029818-A1 Tricyclic macrolide antibacterial compounds ABBVIE INC. 2004-02-12 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-20040029818-A1 Tricyclic macrolide antibacterial compounds RPN1, CASP1, MRPL21 KDM4E 4677/4885NPC1 9/4885RAB9A 2084/4885

“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.