SCHEMBL5717832

SCHEMBL5717832

NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.73
RAB9A P51151 2/20 0.73
NPC1 O15118 1/20 0.73
TSHR P16473 1/20 0.71
SIRT2 Q8IXJ6 3/20 0.70
HDAC2 Q92769 3/20 0.67
HDAC1 Q13547 2/20 0.67
HDAC8 Q9BY41 1/20 0.66
TP53 P04637 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
MAPT P10636 1/20 0.65
HTT P42858 1/20 0.65
ATM Q13315 1/20 0.64
ALDH1A1 P00352 2/20 0.61
KLF5 Q13887 1/20 0.61
POLB P06746 1/20 0.60
NOTUM Q6P988 2/20 0.60

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
SCHEMBL5717732 0.93 TSHR (0.77) LMNARAB9ANPC1TSHRSIRT2
SCHEMBL5717754 0.89 TSHR (0.84) LMNARAB9ANPC1TSHRSIRT2
SCHEMBL5204786 0.84 ALDH1A1 (0.62) LMNARAB9ANPC1TSHRHDAC2
SCHEMBL14735987 0.84 NOTUM (0.65) LMNARAB9ANPC1TSHRSIRT2
SCHEMBL5717662 0.83 TSHR (1.00) LMNARAB9ANPC1TSHRSIRT2
SCHEMBL20029259 0.81 SIRT2 (0.91) LMNARAB9ANPC1TSHRSIRT2
SCHEMBL28869626 0.81 SIRT2 (0.75) LMNARAB9ANPC1TSHRSIRT2
SCHEMBL14735989 0.79 NOTUM (0.76) LMNARAB9ANPC1TSHRSIRT2
SCHEMBL19287059 0.79 SIRT2 (0.68) LMNARAB9ANPC1TSHRSIRT2
SCHEMBL7977108 0.78 ALDH1A1 (0.69) LMNARAB9ANPC1TSHRHDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 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 (3 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 LMNA 1672/4885RAB9A 1478/4885NPC1 122/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 LMNA 1672/4885RAB9A 1478/4885NPC1 122/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 LMNA 1504/4885RAB9A 1258/4885NPC1 86/4885

“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.