SCHEMBL3022178

SCHEMBL3022178

Cc1ccc(NC(=O)N(S)C2=Nc3ccccc3CS2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.52
RAB9A P51151 9/20 0.52
KMT2A Q03164 3/20 0.52
TP53 P04637 2/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.52
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
TAS1R2 Q8TE23 2/20 0.40
NAMPT P43490 1/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 6/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.37
MAPT P10636 4/20 0.36
EGFR P00533 1/20 0.35

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
SCHEMBL3027023 0.88 TAS1R3 (0.40) NPC1RAB9AKMT2ATP53NFKB1
SCHEMBL3016178 0.81 MEN1 (0.41) NPC1RAB9AKMT2ALMNAHPGD
SCHEMBL3022175 0.71 NPC1 (0.67) NPC1RAB9AKMT2ATP53NFKB1
SCHEMBL11373630 0.68 TDP1 (0.52) NPC1RAB9AHPGDSMN1; SMN2POLB
SCHEMBL966467 0.66 NPC1 (0.62) NPC1RAB9AKMT2ATP53NFKB1
SCHEMBL22782149 0.62 NPC1 (0.54) NPC1RAB9AKMT2ATP53NFKB1
SCHEMBL4770587 0.60 TSHR (0.68) NPC1RAB9ALMNASMN1; SMN2POLB
SCHEMBL9054124 0.60 NPC1 (0.57) NPC1RAB9AKMT2ATP53NFKB1
SCHEMBL28437969 0.59 RAB9A (0.57) NPC1RAB9AKMT2AHPGDSMN1; SMN2
SCHEMBL14860314 0.59 NPC1 (0.50) NPC1RAB9AKMT2ATP53LMNA

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 NPC1 1633/4885RAB9A 3189/4885KMT2A 3810/4885

“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.