SCHEMBL10065620

SCHEMBL10065620

O=C(Nc1nc2ccc(F)cc2s1)c1cccnc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.76
SCD O00767 3/20 0.72
RAB9A P51151 7/20 0.71
NPC1 O15118 6/20 0.71
MAPT P10636 5/20 0.71
ALDH1A1 P00352 2/20 0.71
SMN1; SMN2 Q16637 4/20 0.67
TP53 P04637 2/20 0.66
TSHR P16473 1/20 0.66
MAPK1 P28482 1/20 0.66
HSD17B10 Q99714 1/20 0.66
HTT P42858 4/20 0.64
POLB P06746 2/20 0.64
PKM P14618 1/20 0.64
AGTR1 P30556 1/20 0.64
OPRK1 P41145 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
LMNA P02545 1/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61

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
SCHEMBL30370064 0.86 LRRK2 (1.00) LRRK2SCDRAB9ANPC1MAPT
SCHEMBL29947467 0.86 SCD (0.72) LRRK2SCDRAB9ANPC1MAPT
SCHEMBL24729555 0.86 SCD (0.72) LRRK2SCDRAB9ANPC1MAPT
SCHEMBL2190910 0.86 SCD (0.72) LRRK2SCDRAB9ANPC1MAPT
SCHEMBL4921088 0.84 SCD (1.00) SCDRAB9ANPC1MAPTALDH1A1
SCHEMBL4912981 0.83 SCD (1.00) SCDRAB9ANPC1MAPTALDH1A1
SCHEMBL2190163 0.82 RAB9A (0.76) SCDRAB9ANPC1MAPTALDH1A1
Hydrochloric Acid SCHEMBL16554234 0.82 SCD (0.98) SCDRAB9ANPC1MAPTALDH1A1
SCHEMBL19270375 0.80 SCD (0.67) SCDRAB9ANPC1MAPTALDH1A1
SCHEMBL19253769 0.80 SCD (0.63) LRRK2SCDRAB9ANPC1MAPT

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
US-8153803-B2 Compositions and methods for modulating sirtuin activity THE GENERAL HOSPITAL CORPORATION (US) 2012-04-10 US disclosed
US-20090259044-A1 COMPOSITIONS AND METHODS FOR MODULATING SIRTUIN ACTIVITY THE GENERAL HOSPITAL CORPORATION (US) 2009-10-15 US disclosed
US-20090069559-A1 Compositions and methods for modulating sirtuin activity THE GENERAL HOSPITAL CORPORATION 2009-03-12 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 (2 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-20090069559-A1 Compositions and methods for modulating sirtuin activity SIRT2, SIRT1, SIRT3 LRRK2 110/4885SCD 684/4885RAB9A 1158/4885
US-20090259044-A1 COMPOSITIONS AND METHODS FOR MODULATING SIRTUIN ACTIVITY SIRT2, SIRT1, SIRT3 LRRK2 110/4885SCD 684/4885RAB9A 1158/4885

“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.