SCHEMBL3396673

SCHEMBL3396673

O=[C]c1ccc2ncsc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.53
RAB9A P51151 11/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HKDC1 Q2TB90 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 1/20 0.47
DYRK1A Q13627 4/20 0.46
GFER P55789 1/20 0.42
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
POLB P06746 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
DYRK2 Q92630 3/20 0.40
DYRK1B Q9Y463 3/20 0.40
CSNK2A2 P19784 2/20 0.40
CLK1 P49759 2/20 0.40
CSNK2B P67870 2/20 0.40

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
SCHEMBL6477863 0.86 ALDH1A1 (0.45) NPC1RAB9AL3MBTL1KDM4EHKDC1
SCHEMBL3032150 0.80 NPC1 (0.49) NPC1RAB9AL3MBTL1KDM4EHKDC1
SCHEMBL1799071 0.80 KDM4E (0.49) NPC1RAB9AL3MBTL1KDM4EHKDC1
SCHEMBL9223659 0.76 L3MBTL1 (0.50) NPC1RAB9AL3MBTL1KDM4EHKDC1
SCHEMBL2091083 0.75 NPC1 (0.56) NPC1RAB9AL3MBTL1KDM4EHKDC1
SCHEMBL14047157 0.74 NPC1 (0.51) NPC1RAB9AL3MBTL1KDM4EHKDC1
SCHEMBL19614977 0.74 NPC1 (0.44) NPC1RAB9AL3MBTL1KDM4EHKDC1
SCHEMBL3013600 0.74 NPC1 (0.44) NPC1RAB9AL3MBTL1KDM4EHKDC1
SCHEMBL7439801 0.74 NPC1 (0.47) NPC1RAB9AL3MBTL1KDM4EHKDC1
SCHEMBL11976454 0.72 NPC1 (0.53) NPC1RAB9AL3MBTL1KDM4EHKDC1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356387-B1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS UNIV MONASH (AU) 2024-06-26 EP claimed
US-11225505-B2 Antimicrobial polymyxin derivative compounds MONASH UNIVERSITY (AU) 2022-01-18 US claimed
US-20180282374-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS MONASH UNIVERSITY (AU) 2018-10-04 US claimed
EP-3356387-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS Monash University (AU) 2018-08-08 EP claimed
EP-1236712-B1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE AJINOMOTO KK (JP) 2008-08-06 EP claimed
US-6710056-B2 PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVE AN EXCELLENT ANTAGONISTIC EFFECT AGAINST ACTIVATED BLOOD COAGULATION FACTOR VII. AJINOMOTO CO., INC. (JP) 2004-03-23 US claimed
US-20030109547-A1 Amidinophenylpyruvic acid derivatives AJINOMOTO CO. INC (JP) 2003-06-12 US claimed
EP-1236712-A1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-09-04 EP claimed
EP-3356387-B1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS UNIV MONASH (AU) 2024-06-26 EP disclosed
US-11225505-B2 Antimicrobial polymyxin derivative compounds MONASH UNIVERSITY (AU) 2022-01-18 US disclosed
US-20180282374-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS MONASH UNIVERSITY (AU) 2018-10-04 US disclosed
EP-3356387-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS Monash University (AU) 2018-08-08 EP disclosed
EP-2257297-B1 COMPOUNDS FOR USE IN THE TREATMENT OF ACNE, SEBORRHOEA AND SEBHORROEIC DERMATITIS, OR FOR REDUCING SEBUM SECRETION MIMETICA PTY LTD (AU) 2017-10-18 EP disclosed
CN-102154003-B Novel carbazole-bridge-based fluorescent cyanine dye probe and preparation method thereof TIANJIN INST URBAN CONSTR 2015-04-22 CN disclosed
US-6855706-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2005-02-15 US disclosed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 WO disclosed
US-6710056-B2 PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVE AN EXCELLENT ANTAGONISTIC EFFECT AGAINST ACTIVATED BLOOD COAGULATION FACTOR VII. AJINOMOTO CO., INC. (JP) 2004-03-23 US disclosed
US-20030109547-A1 Amidinophenylpyruvic acid derivatives AJINOMOTO CO. INC (JP) 2003-06-12 US disclosed
EP-1236712-A1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-09-04 EP disclosed
EP-1233013-A1 NOVEL PHENYLALANINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2002-08-21 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 (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-11225505-B2 Antimicrobial polymyxin derivative compounds VIP, PNKP, PEPD NPC1 2542/4885RAB9A 3779/4885L3MBTL1 1643/4885
US-20030109547-A1 Amidinophenylpyruvic acid derivatives HABP2, F2, F7 NPC1 3036/4885RAB9A 1858/4885L3MBTL1 2972/4885
US-20180282374-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS VIP, PNKP, PEPD NPC1 2542/4885RAB9A 3779/4885L3MBTL1 1643/4885

“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.