SCHEMBL755893

SCHEMBL755893

Cn1c(Nc2cc[c]cc2)nc2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.64
NPC1 O15118 6/20 0.64
GAA P10253 2/20 0.58
MAPT P10636 4/20 0.54
TP53 P04637 3/20 0.54
LMNA P02545 3/20 0.54
HSD17B10 Q99714 2/20 0.54
HTT P42858 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.52
POLB P06746 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.50
PDE10A Q9Y233 1/20 0.46

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
SCHEMBL1055556 0.81 GAA (0.71) RAB9ANPC1GAAMAPTTP53
SCHEMBL17661777 0.81 RAB9A (0.68) RAB9ANPC1GAAMAPTTP53
SCHEMBL2486560 0.81 RAB9A (0.68) RAB9ANPC1GAAMAPTTP53
SCHEMBL6430607 0.81 RAB9A (0.68) RAB9ANPC1GAAMAPTTP53
SCHEMBL755892 0.79 TP53 (0.52) RAB9ANPC1GAAMAPTTP53
SCHEMBL3921729 0.76 GAA (0.78) RAB9ANPC1GAAMAPTTP53
SCHEMBL9910545 0.76 NPC1 (0.62) RAB9ANPC1GAAMAPTTP53
SCHEMBL2727856 0.74 HDAC6 (0.73) RAB9ANPC1GAAMAPTTP53
SCHEMBL9910546 0.74 NPC1 (0.67) RAB9ANPC1GAAMAPTTP53
SCHEMBL714363 0.73 MEN1 (0.68) RAB9ANPC1GAAMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1454903-B9 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2011-10-05 EP claimed
EP-1454903-B1 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2010-09-08 EP claimed
US-20080207706-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD (JP) 2008-08-28 US claimed
US-20060074113-A1 Thiadiazoline derivative KYOWA KIRIN CO., LTD. (JP) 2006-04-06 US claimed
EP-1454903-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-08 EP claimed
EP-1847534-B9 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2012-03-21 EP disclosed
EP-1454903-B9 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2011-10-05 EP disclosed
EP-1847534-B1 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2011-06-22 EP disclosed
US-7902234-B2 Thiadiazoline derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-03-08 US disclosed
US-20100240716-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-09-23 US disclosed
EP-1454903-B1 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2010-09-08 EP disclosed
US-7759371-B2 Thiadiazoline derivative Kyowa Hakko Kinn Co., Ltd. (JP) 2010-07-20 US disclosed
US-7425636-B2 Thiadiazoline derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-09-16 US disclosed
US-20080207706-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD (JP) 2008-08-28 US disclosed
EP-1847534-A2 Thiadiazoline derivative Kyowa Hakko Kogyo Co., Ltd (JP) 2007-10-24 EP disclosed
US-20070213380-A1 Thiadiazoline derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-09-13 US disclosed
US-20060074113-A1 Thiadiazoline derivative KYOWA KIRIN CO., LTD. (JP) 2006-04-06 US disclosed
EP-1454903-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-08 EP 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 (4 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-20060074113-A1 Thiadiazoline derivative BRWD1, RB1, ARG2 RAB9A 710/4885NPC1 3361/4885GAA 4130/4885
US-20070213380-A1 Thiadiazoline derivative BRWD1, RB1, ARG2 RAB9A 710/4885NPC1 3361/4885GAA 4130/4885
US-20100240716-A1 THIADIAZOLINE DERIVATIVE BRWD1, WDR82, RB1 RAB9A 1141/4885NPC1 4070/4885GAA 3801/4885
US-20080207706-A1 THIADIAZOLINE DERIVATIVE BRWD1, RB1, ARG2 RAB9A 710/4885NPC1 3361/4885GAA 4130/4885

“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.