SCHEMBL404981

SCHEMBL404981

CCOc1ccc(C(=O)Nc2nccs2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.75
NPC1 O15118 7/20 0.75
SMN1; SMN2 Q16637 6/20 0.73
HPGD P15428 1/20 0.73
HSD17B10 Q99714 1/20 0.71
PKM P14618 1/20 0.71
CDK5 Q00535 1/20 0.71
CDK5R1 Q15078 1/20 0.71
ADORA2A P29274 5/20 0.66
LMNA P02545 2/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
RECQL P46063 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
CYP2C19 P33261 1/20 0.63
AGER Q15109 1/20 0.63
MAPK1 P28482 3/20 0.61
ALOX15 P16050 1/20 0.61
ALDH1A1 P00352 1/20 0.61
SCD O00767 1/20 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
SCHEMBL2664747 0.86 RAB9A (0.77) RAB9ANPC1SMN1; SMN2HPGDHSD17B10
SCHEMBL28478360 0.86 RAB9A (1.00) RAB9ANPC1SMN1; SMN2HSD17B10PKM
SCHEMBL2753283 0.82 RAB9A (0.92) RAB9ANPC1SMN1; SMN2HSD17B10PKM
SCHEMBL13212117 0.82 ALDH1A1 (0.75) PKMLMNAMEN1KMT2ARECQL
SCHEMBL4295195 0.81 RAB9A (0.76) RAB9ANPC1SMN1; SMN2HSD17B10ADORA2A
SCHEMBL706414 0.81 RAB9A (0.71) RAB9ANPC1SMN1; SMN2HPGDHSD17B10
SCHEMBL3223685 0.81 RAB9A (1.00) RAB9ANPC1SMN1; SMN2HSD17B10ADORA2A
SCHEMBL6227032 0.80 RAB9A (0.69) RAB9ANPC1SMN1; SMN2HSD17B10ADORA2A
SCHEMBL4290771 0.79 NPC1 (0.79) RAB9ANPC1SMN1; SMN2HSD17B10ADORA2A
SCHEMBL4296512 0.78 ADORA2A (0.76) RAB9ANPC1SMN1; SMN2HSD17B10ADORA2A

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
US-20150105433-A1 TREATING VIRAL INFECTIONS HAVING VIRAL RNAs TRANSLATED BY A NON-IRES MEDIATED MECHANISM THE UAB RESEARCH FOUNDATION 2015-04-16 US disclosed
US-20150105433-A1 TREATING VIRAL INFECTIONS HAVING VIRAL RNAs TRANSLATED BY A NON-IRES MEDIATED MECHANISM THE UAB RESEARCH FOUNDATION 2015-04-16 US disclosed
US-20120065247-A1 MODULATING IRES-MEDIATED TRANSLATION DISCOVERYBIOMED, INC. (US) 2012-03-15 US disclosed
US-20120065247-A1 MODULATING IRES-MEDIATED TRANSLATION DISCOVERYBIOMED, INC. (US) 2012-03-15 US disclosed
WO-2010111653-A2 MODULATING IRES-MEDIATED TRANSLATION THE UAB RESEARCH FOUNDATION (US) 2010-09-30 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 (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-20120065247-A1 MODULATING IRES-MEDIATED TRANSLATION EIF2AK2, EIF4EBP1, EIF4E RAB9A 2106/4885NPC1 2519/4885SMN1; SMN2 1695/4885
US-20150105433-A1 TREATING VIRAL INFECTIONS HAVING VIRAL RNAs TRANSLATED BY A NON-IRES MEDIATED MECHANISM EIF2AK2, RPS25, RPL35 RAB9A 2752/4885NPC1 859/4885SMN1; SMN2 1417/4885

“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.