SCHEMBL5664372

SCHEMBL5664372

O=C(O)CCc1ccc(-c2ccccn2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 3/20 0.57
KDM4E B2RXH2 3/20 0.56
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MAPT P10636 2/20 0.53
GLA P06280 1/20 0.53
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
CES1 P23141 2/20 0.48
ALDH1A1 P00352 1/20 0.45
FFAR1 O14842 2/20 0.43

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
SCHEMBL5663650 0.84 KDM4E (0.59) RPS6KB2KDM4ENPC1RAB9AMAPT
SCHEMBL4619799 0.79 RPS6KB2 (0.60) RPS6KB2RAB9AMAPTHDAC3HDAC1
SCHEMBL6874856 0.78 KDM4E (0.56) RPS6KB2KDM4ENPC1RAB9AMAPT
SCHEMBL14644384 0.78 TRPV1 (0.48) RPS6KB2KDM4ENPC1RAB9AMAPT
SCHEMBL6850784 0.78 KDM4E (0.60) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL1314775 0.77 KDM4E (0.64) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL13680909 0.77 KDM4E (0.55) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL9378745 0.76 ALOX5 (0.52) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL20621378 0.75 KDM4E (0.56) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL15453234 0.75 KDM4E (0.51) RPS6KB2KDM4ENPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1471923-A4 AMIDO MACROLIDES KOSAN BIOSCIENCES INC (US) 2006-01-11 EP disclosed
US-6939861-B2 Amido macrolides KOSAN BIOSCIENCES, INC. (US) 2005-09-06 US disclosed
EP-1471923-A1 AMIDO MACROLIDES Kosan Biosciences, Inc. (US) 2004-11-03 EP disclosed
US-20030199458-A1 Amido macrolides KOSAN BIOSCIENCES, INC. 2003-10-23 US disclosed
WO-2003061671-A1 AMIDO MACROLIDES KOSAN BIOSCIENCES, INC. (US) 2003-07-31 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-20030199458-A1 Amido macrolides PCSK9, ABCB4, PCSK7 RPS6KB2 400/4885KDM4E 4607/4885NPC1 33/4885

“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.