SCHEMBL3025619

SCHEMBL3025619

CCN(CC)C(C)=NC1=Nc2cc(OC(F)(F)F)ccc2CS1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.32
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
DYRK1A Q13627 1/20 0.31
BACE1 P56817 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL3025621 0.93 PRMT6 (0.30) NOS3NOS1NOS2
SCHEMBL3021993 0.93 HCRTR2 (0.33) HCRTR2NOS3NOS1NOS2DYRK1A
SCHEMBL3022781 0.93 HCRTR2 (0.33) HCRTR2NOS3NOS1NOS2DYRK1A
SCHEMBL3695591 0.85 CTSL (0.35) NOS3NOS1NOS2DYRK1ABACE1
SCHEMBL3029229 0.84 GRIN2B (0.31) NOS3NOS1NOS2
SCHEMBL3021991 0.84 GRIN2B (0.31) NOS3NOS1NOS2
SCHEMBL3025257 0.77 CTSL (0.32) HCRTR2NOS3NOS1NOS2DYRK1A
SCHEMBL3025253 0.77 CTSL (0.32) HCRTR2NOS3NOS1NOS2DYRK1A
SCHEMBL3030050 0.76 NPC1 (0.38)
SCHEMBL3030053 0.76 NPC1 (0.38)

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 4 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 claimed
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 HCRTR2 2632/4885NOS3 204/4885NOS1 241/4885

“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.