SCHEMBL3415431

SCHEMBL3415431

Cc1cccc(C(Cc2ccccc2)NC2=NCCS2)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
TAAR1 Q96RJ0 1/20 0.47
PKM P14618 1/20 0.43
RAB9A P51151 7/20 0.41
NPC1 O15118 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NFKB1 P19838 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL229249 0.88 RAB9A (0.40) LMNATAAR1RAB9ANPC1SMN1; SMN2
SCHEMBL15310036 0.88 LMNA (0.38) LMNATAAR1PKMRAB9ANPC1
SCHEMBL1107826 0.86 ALDH1A1 (0.40) LMNATAAR1RAB9ANPC1SMN1; SMN2
SCHEMBL14000955 0.82 LMNA (0.39) LMNATAAR1RAB9ANPC1SMN1; SMN2
SCHEMBL3931588 0.81 LMNA (0.43) LMNATAAR1RAB9ANPC1SMN1; SMN2
SCHEMBL1550836 0.81 LMNA (0.41) LMNATAAR1RAB9ANPC1SMN1; SMN2
SCHEMBL2016079 0.79 LMNA (0.60) LMNATAAR1PKMRAB9ANPC1
SCHEMBL3415134 0.79 MAPT (0.44) LMNATAAR1PKMRAB9ANPC1
SCHEMBL6728092 0.77 POLB (0.45) LMNATAAR1SMN1; SMN2POLBCYP2D6
SCHEMBL1107835 0.77 RAB9A (0.46) LMNATAAR1PKMRAB9ANPC1

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-2265269-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF Allergan, Inc. (US) 2010-12-29 EP disclosed
WO-2009120648-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-10-01 WO disclosed
US-20090239918-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-09-24 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-20090239918-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ADRB2, ADRA2C, ADRA2A LMNA 3061/4885TAAR1 153/4885PKM 2180/4885

“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.