SCHEMBL2779409

SCHEMBL2779409

NC(=S)Nc1cc(Br)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIOK2 Q9BVS4 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
NTRK1 P04629 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
SORT1 Q99523 1/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
NR3C2 P08235 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.35
TYR P14679 1/20 0.35
TSHR P16473 1/20 0.35
TAS2R38 P59533 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
SCHEMBL29601179 0.78 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2780621 0.78 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL28712383 0.78 PHGDH (0.48) RIOK2L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL28716319 0.78 NR3C2 (0.46) L3MBTL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL477127 0.76 SMN1; SMN2 (0.53) RIOK2L3MBTL1NPC1RAB9ANTRK1
SCHEMBL29078745 0.75 ROCK1 (0.44) NPC1RAB9ASMN1; SMN2KMT2ACYP1A2
SCHEMBL6181374 0.75 NR3C2 (0.48) SMN1; SMN2ALDH1A1KMT2ANR3C2
SCHEMBL19478462 0.74 RIOK2 (0.43) RIOK2L3MBTL1NPC1RAB9ANTRK1
SCHEMBL29899021 0.74 L3MBTL1 (0.55) RIOK2L3MBTL1NPC1RAB9ANTRK1
SCHEMBL355579 0.74 L3MBTL1 (0.55) RIOK2L3MBTL1NPC1RAB9ANTRK1

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
US-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 US disclosed
US-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-07-22 US disclosed
WO-2010007100-A1 7-SUBSTITUTED AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LTD (GB) 2010-01-21 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-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors HTR5A, HTR2C, HTR1E RIOK2 4378/4885L3MBTL1 2980/4885NPC1 2234/4885

“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.