SCHEMBL3023952

SCHEMBL3023952

S=C(NC1=Nc2ccccc2SC1)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
CYP3A4 P08684 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TAS2R38 P59533 1/20 0.50
OPRK1 P41145 1/20 0.45
KMT2A Q03164 6/20 0.44
GAA P10253 5/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 6/20 0.43
MEN1 O00255 4/20 0.43
NPC1 O15118 4/20 0.43
NOX1 Q9Y5S8 1/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL13214832 0.84 OPRK1 (0.46) ALDH1A1CYP3A4OPRK1KMT2AGAA
SCHEMBL3022272 0.80 OPRK1 (0.43) ALDH1A1OPRK1KMT2AGAALMNA
SCHEMBL3027026 0.78 KMT2A (0.49) ALDH1A1OPRK1KMT2AGAALMNA
SCHEMBL3015629 0.76 OPRK1 (0.50) ALDH1A1OPRK1KMT2AGAALMNA
SCHEMBL2524058 0.76 OPRK1 (0.58) ALDH1A1OPRK1KMT2AGAALMNA
SCHEMBL3010928 0.73 OPRK1 (0.45) OPRK1KMT2ALMNARAB9AMEN1
SCHEMBL132620 0.71 ALDH1A1 (1.00) ALDH1A1CYP3A4HSD17B10TAS2R38KMT2A
SCHEMBL12199239 0.70 OPRK1 (0.47) ALDH1A1CYP3A4OPRK1KMT2AGAA
SCHEMBL3023955 0.70 ALDH1A1 (0.42) ALDH1A1CYP3A4HSD17B10TAS2R38OPRK1
SCHEMBL9470190 0.69 ALDH1A1 (0.94) ALDH1A1CYP3A4HSD17B10TAS2R38KMT2A

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 ALDH1A1 1953/4885CYP3A4 2434/4885HSD17B10 3853/4885

“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.