SCHEMBL3016175

SCHEMBL3016175

S=C(NC1=Nc2ccccc2CS1)Nc1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 2/20 0.51
POLB P06746 1/20 0.51
IDO1 P14902 1/20 0.50
ALDH1A1 P00352 2/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46

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 0.86 NPC1 (0.51) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL11741665 0.82 KMT2A (0.71) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL3022175 0.79 NPC1 (0.67) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL3029188 0.79 MAPT (0.51) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL13214828 0.77 KMT2A (0.54) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL26991 0.74 IDO1 (0.79) MEN1KMT2ASMN1; SMN2IDO1ALDH1A1
SCHEMBL29481122 0.74 IDO1 (0.79) MEN1KMT2ASMN1; SMN2IDO1ALDH1A1
SCHEMBL3022086 0.74 KMT2A (0.50) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL11709198 0.73 KMT2A (0.56) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL3016178 0.73 MEN1 (0.41) MEN1KMT2ARAB9ASMN1; SMN2NPC1

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 MEN1 2399/4885KMT2A 3810/4885RAB9A 3189/4885

“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.