SCHEMBL3565800

SCHEMBL3565800

N#CC(=Cc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
LMNA P02545 3/20 0.56
PTPN7 P35236 3/20 0.43
PTPN12 Q05209 3/20 0.43
PTPN22 Q9Y2R2 3/20 0.43
THRB P10828 3/20 0.43
ALDH1A1 P00352 5/20 0.41
NPSR1 Q6W5P4 4/20 0.41
HTT P42858 3/20 0.41
TP53 P04637 3/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
ORAI1 Q96D31 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PKM P14618 2/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL3557629 0.85 ORAI1 (0.41) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL14379044 0.83 ORAI1 (0.42) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3559709 0.83 ORAI1 (0.42) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3556322 0.82 ORAI1 (0.41) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL13438433 0.82 ORAI1 (0.41) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3559491 0.82 ALDH1A1 (0.46) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3567004 0.82 ORAI1 (0.41) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3556719 0.81 ORAI1 (0.43) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3560070 0.80 ORAI1 (0.41) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3557306 0.79 ORAI1 (0.42) MAPTSMN1; SMN2NPC1RAB9ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705029-B2 Acrylonitrile derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2010-04-27 US disclosed
US-20070270478-A1 ACRYLONITRILE DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-11-22 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-20070270478-A1 ACRYLONITRILE DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES IL1B, IL6, TLR4 MAPT 643/4885SMN1; SMN2 3382/4885NPC1 601/4885

“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.