SCHEMBL3023958

SCHEMBL3023958

NC(=S)Nc1ccccc1C1=Nc2ccccc2SC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
BCHE P06276 4/20 0.37
OPRK1 P41145 1/20 0.37
ACHE P22303 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
ALOX12 P18054 2/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
KCNH2 Q12809 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL3023955 0.79 ALDH1A1 (0.42) BCHEOPRK1ALDH1A1MAPTMEN1
SCHEMBL17968071 0.67 MAPT (0.50) L3MBTL1BCHEOPRK1ACHEALDH1A1
SCHEMBL3015629 0.66 OPRK1 (0.50) OPRK1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7593748 0.65 L3MBTL1 (0.71) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL13214832 0.65 OPRK1 (0.46) OPRK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL9311653 0.65 SIGMAR1 (0.57) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL2524058 0.65 OPRK1 (0.58) BCHEOPRK1ALDH1A1MAPTMEN1
SCHEMBL3023952 0.64 ALDH1A1 (0.50) OPRK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3030074 0.63 OPRK1 (0.46) OPRK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL11161401 0.62 ALDH1A1 (0.53) L3MBTL1ALDH1A1MAPTMEN1KMT2A

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
EP-2190829-B1 AMIDINE, THIOUREA AND GUANIDINE DERIVATIVES OF 2-AMINOBENZOTHIAZOLES AND AMINOBENZOTHIAZINES FOR THEIR USE AS PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF NEURODEGENERATIVE PATHOLOGIES Rottapharm Biotech Srl (IT) 2016-08-17 EP disclosed
US-8420634-B2 Amidine, thiourea and guanidine derivatives of 2-aminobenzothiazoles and aminobenzothiazines for their use as pharmacological agents for the treatment of neurodegenerative pathologies ROTTAPHARM S.P.A. (IT) 2013-04-16 US disclosed
US-20100197670-A1 AMIDINE, THIOUREA AND GUANIDINE DERIVATIVES OF 2-AMINOBENZOTHIAZOLES AND AMINOBENZOTHIAZINES FOR THEIR USE AS PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF NEURODEGENERATIVE PATHOLOGIES ROTTAPHARM BIOTECH S.R.L. (IT) 2010-08-05 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 (1 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-20100197670-A1 AMIDINE, THIOUREA AND GUANIDINE DERIVATIVES OF 2-AMINOBENZOTHIAZOLES AND AMINOBENZOTHIAZINES FOR THEIR USE AS PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF NEURODEGENERATIVE PATHOLOGIES ABAT, SMN1; SMN2, IAPP L3MBTL1 338/4885BCHE 491/4885OPRK1 2138/4885

“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.