SCHEMBL12418183

SCHEMBL12418183

O=C(c1cc(-c2ccccc2)n(-c2cccc(Cl)c2)n1)N1CCOCC1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.74
MGLL Q99685 6/20 0.72
MEN1 O00255 4/20 0.72
KMT2A Q03164 4/20 0.72
MAPT P10636 4/20 0.72
PTGS2 P35354 4/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
NPSR1 Q6W5P4 1/20 0.69
LMNA P02545 1/20 0.64
HTT P42858 1/20 0.64
HPGD P15428 1/20 0.64
PPP1CA P62136 1/20 0.59
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
MALT1 Q9UDY8 1/20 0.57

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
SCHEMBL12418181 0.88 PTGS2 (0.65) SMPD1MGLLMEN1KMT2AMAPT
SCHEMBL2192750 0.87 PTGS2 (0.64) SMPD1MGLLMEN1KMT2AMAPT
SCHEMBL12418193 0.86 PTGS2 (0.66) SMPD1MGLLMEN1KMT2AMAPT
SCHEMBL12418189 0.85 MEN1 (0.63) SMPD1MGLLMEN1KMT2AMAPT
SCHEMBL12418133 0.84 PTGS2 (0.61) SMPD1MGLLMEN1KMT2AMAPT
SCHEMBL12418134 0.84 PTGS2 (0.61) SMPD1MGLLMEN1KMT2AMAPT
SCHEMBL12418187 0.84 MAPT (0.62) SMPD1MGLLMEN1KMT2AMAPT
SCHEMBL12418185 0.83 PTGS2 (0.61) SMPD1MGLLMEN1KMT2AMAPT
SCHEMBL28294494 0.82 PTGS2 (1.00) MEN1KMT2AMAPTPTGS2
SCHEMBL12418135 0.81 PTGS2 (0.58) SMPD1MGLLMEN1KMT2AMAPT

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-20110172207-A1 SUBSTITUTED PYRAZOLAMIDES AND THEIR USE AICURIS GMBH & CO. KG (DE) 2011-07-14 US disclosed
US-20110172207-A1 SUBSTITUTED PYRAZOLAMIDES AND THEIR USE AICURIS GMBH & CO. KG (DE) 2011-07-14 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-20110172207-A1 SUBSTITUTED PYRAZOLAMIDES AND THEIR USE CACNA1A, P2RX4, KCNH1 SMPD1 2104/4885MGLL 4690/4885MEN1 2527/4885

“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.