SCHEMBL3029188

SCHEMBL3029188

S=C(NC1=Nc2ccccc2CS1)Nc1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
ALDH1A1 P00352 5/20 0.51
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
KMT2A Q03164 9/20 0.51
MEN1 O00255 8/20 0.51
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 4/20 0.50
TP53 P04637 1/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
IDO1 P14902 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43

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
SCHEMBL3027021 0.87 NPC1 (0.51) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL3022175 0.87 NPC1 (0.67) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL13214828 0.80 KMT2A (0.54) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL3016175 0.79 MEN1 (0.51) MAPTALDH1A1MAOAMAOBKMT2A
SCHEMBL3022086 0.76 KMT2A (0.50) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL3026444 0.74 KMT2A (0.48) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL966467 0.72 NPC1 (0.62) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL3029190 0.71 RAB9A (0.40) MAPTMAOAMAOBKMT2AMEN1
SCHEMBL5137359 0.70 ALDH1A1 (1.00) MAPTALDH1A1MAOAMAOBKMT2A
SCHEMBL8956372 0.70 MAPT (0.83) MAPTALDH1A1MAOAMAOBKMT2A

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 5 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
EP-2190829-A2 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) 2010-06-02 EP disclosed
WO-2009040331-A2 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) 2009-04-02 WO 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 MAPT 12/4885ALDH1A1 1953/4885MAOA 2154/4885

“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.