SCHEMBL4093768

SCHEMBL4093768

CC(C)(C)N(Cc1cccc(-c2ccc(Cl)c(N)c2)n1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.38
ABL1 P00519 1/20 0.36
HPGD P15428 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
AOC3 Q16853 1/20 0.35
SHMT1 P34896 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TRPV3 Q8NET8 2/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL4088394 0.83 MAPT (0.43) HPGDMEN1KMT2A
SCHEMBL3020612 0.74 HPGD (0.43) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL946099 0.71 MEN1 (0.41) MEN1KMT2ANPC1RAB9A
SCHEMBL67697 0.70 MEN1 (0.42) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL4093765 0.69 CNR2 (0.40) NTRK1ABL1JAK2JAK3CNR2
SCHEMBL902454 0.68 ASIC3 (0.42) MEN1KMT2A
SCHEMBL15057213 0.68 SLC6A4 (0.42) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL17601006 0.67 MEN1 (0.36) SHMT1MEN1KMT2ANPC1RAB9A
SCHEMBL16673629 0.65 MEN1 (0.33) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL22366419 0.64 CYP1A2 (0.49) MEN1KMT2A

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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 NTRK1 3954/4885ABL1 3168/4885HPGD 3497/4885

“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.