SCHEMBL4087908

SCHEMBL4087908

O=C(Nc1ccccn1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL4090183 0.93 KMT2A (0.45) KMT2AMEN1NPC1RAB9APPARG
SCHEMBL3006416 0.90 TUBB4A (0.43) KMT2ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4100635 0.90 FAAH (0.43) KMT2AMEN1NPC1RAB9APPARG
SCHEMBL4090012 0.90 TUBB4A (0.44) KMT2ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4089949 0.89 FAAH (0.54) KMT2AMEN1NPC1RAB9AFAAH
SCHEMBL4090374 0.88 LMNA (0.43) KMT2AEGFRSRCMEN1NPC1
SCHEMBL4095302 0.87 FAAH (0.48) KMT2AMEN1NPC1RAB9AFAAH
SCHEMBL3001993 0.87 KMT2A (0.51) KMT2ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4088689 0.86 FAAH (0.44) KMT2AFAAH
SCHEMBL3008686 0.86 TUBB4A (0.48) KMT2ATUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 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-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 KMT2A 2103/4885TUBB4A 1675/4885TUBB 1789/4885

“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.