SCHEMBL757788

SCHEMBL757788

[c]1ccc(Nc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
RAB9A P51151 5/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
NPC1 O15118 4/20 0.55
ALOX15 P16050 2/20 0.55
ALDH1A1 P00352 2/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
PDE10A Q9Y233 1/20 0.55
MAPT P10636 2/20 0.54
AKR1C3 P42330 1/20 0.54
LMNA P02545 2/20 0.51
TP53 P04637 2/20 0.51
CYP1A2 P05177 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
DDX3X O00571 1/20 0.51
CYP26A1 O43174 1/20 0.50
POLB P06746 1/20 0.50
PLK4 O00444 1/20 0.49

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
SCHEMBL30020996 0.87 MEN1 (0.75) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL239690 0.87 MEN1 (0.75) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL28050241 0.83 RAB9A (0.68) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL1163606 0.83 MEN1 (0.69) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL3795977 0.82 MEN1 (0.59) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL6037541 0.81 MEN1 (0.71) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL1996591 0.81 MEN1 (0.71) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL6037544 0.81 MEN1 (0.71) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL20685416 0.81 MEN1 (1.00) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL1163897 0.81 MEN1 (0.71) MEN1KMT2ARAB9ASMN1; SMN2NPC1

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 MEN1 2153/4885KMT2A 558/4885RAB9A 710/4885
US-20070213380-A1 Thiadiazoline derivative BRWD1, RB1, ARG2 MEN1 2153/4885KMT2A 558/4885RAB9A 710/4885
US-20100240716-A1 THIADIAZOLINE DERIVATIVE BRWD1, WDR82, RB1 MEN1 2027/4885KMT2A 665/4885RAB9A 1141/4885
US-20080207706-A1 THIADIAZOLINE DERIVATIVE BRWD1, RB1, ARG2 MEN1 2153/4885KMT2A 558/4885RAB9A 710/4885

“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.