SCHEMBL3418087

SCHEMBL3418087

Cc1ccccc1CC(NC1=NCCS1)c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
TAAR1 Q96RJ0 1/20 0.46
RAB9A P51151 7/20 0.39
NPC1 O15118 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 1/20 0.38
FFAR2 O15552 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL3418063 0.84 LMNA (0.50) LMNATAAR1RAB9ANPC1SMN1; SMN2
SCHEMBL3414408 0.83 LMNA (0.44) LMNATAAR1RAB9ANPC1SMN1; SMN2
SCHEMBL4122181 0.83 NPC1 (0.44) LMNATAAR1RAB9ANPC1SMN1; SMN2
SCHEMBL6728095 0.79 POLB (0.44) TAAR1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL3431955 0.78 WDR5 (0.43) LMNAMEN1KMT2ACYP2D6
SCHEMBL3433520 0.78 CFB (0.41) TAAR1MAPTCYP3A4CYP2D6TSHR
SCHEMBL3418092 0.76 LMNA (0.43) LMNATAAR1RAB9ANPC1SMN1; SMN2
SCHEMBL27853795 0.74 ADRB3 (0.34) MAPTCYP3A4CYP2D6
SCHEMBL3418064 0.73 LMNA (0.47) LMNATAAR1RAB9ANPC1SMN1; SMN2
SCHEMBL1107826 0.72 ALDH1A1 (0.40) LMNATAAR1RAB9ANPC1SMN1; SMN2

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 153/4885RAB9A 3419/4885

“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.