SCHEMBL4500748

SCHEMBL4500748

N#C/N=C(/Nc1ccc(F)cc1)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
LMNA P02545 2/20 0.40
KMT2A Q03164 6/20 0.39
MEN1 O00255 4/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 4/20 0.39
RECQL P46063 1/20 0.39
CXCR1 P25024 1/20 0.39
CXCR2 P25025 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 2/20 0.37
RAD51 Q06609 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL14257545 1.00 FAAH (0.41) FAAHNPC1RAB9ANOX1LMNA
SCHEMBL4500750 1.00 FAAH (0.41) FAAHNPC1RAB9ANOX1LMNA
SCHEMBL2087130 0.89 KMT2A (0.43) FAAHNPC1RAB9ALMNAKMT2A
SCHEMBL12793870 0.89 KMT2A (0.43) FAAHNPC1RAB9ALMNAKMT2A
SCHEMBL4920373 0.89 KMT2A (0.43) FAAHNPC1RAB9ALMNAKMT2A
SCHEMBL16014631 0.87 DHODH (0.41) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL16014632 0.87 DHODH (0.41) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL23576281 0.85 KMT2A (0.43) NPC1RAB9ALMNAKMT2AMEN1
SCHEMBL21396889 0.85 KMT2A (0.55) NPC1RAB9ANOX1LMNAKMT2A
SCHEMBL4996691 0.85 KMT2A (0.44) NPC1RAB9ALMNAKMT2AMEN1

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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 WO 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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B FAAH 1154/4885NPC1 3876/4885RAB9A 1318/4885

“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.