SCHEMBL14345461

SCHEMBL14345461

CCc1cccc(NCN)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.50
SIGMAR1 Q99720 12/20 0.49
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
MAPT P10636 1/20 0.45
HDAC4 P56524 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44

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
SCHEMBL9316519 0.85 SYK (0.50) RAPGEF4SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL5144284 0.83 RAPGEF4 (0.53) RAPGEF4SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL3617649 0.81 RAPGEF4 (0.55) RAPGEF4SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL17347503 0.80 RAPGEF4 (0.50) RAPGEF4SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL10990076 0.80 RAPGEF4 (0.50) RAPGEF4SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL14468406 0.79 PNMT (0.41) SIGMAR1MAPT
SCHEMBL6526053 0.79 RAPGEF4 (0.53) RAPGEF4SIGMAR1GRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL2868312 0.79 RAPGEF4 (0.53) RAPGEF4SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL13113859 0.79 MAPT (0.44) RAPGEF4SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL8896899 0.79 RAPGEF4 (0.67) RAPGEF4SIGMAR1GRIN2DGRIN3BGRIN1

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
WO-2007139860-A2 HETEROBICYLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed
WO-2007079199-A2 SUBSTITUTED BIS-AMIDE METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, HOLDING, INC. (US) 2007-07-12 WO disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 RAPGEF4 2741/4885SIGMAR1 3986/4885GRIN2D 3050/4885

“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.