SCHEMBL4744310

SCHEMBL4744310

CC(C)(C)OC(=O)N(CCO)Cc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.56
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
RIPK1 Q13546 2/20 0.43
KCNQ4 P56696 3/20 0.43
KCNQ5 Q9NR82 3/20 0.43
GAA P10253 2/20 0.43
GRM2 Q14416 1/20 0.43
LMNA P02545 1/20 0.42
KDM1A O60341 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NR1D1 P20393 1/20 0.41
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
YAP1 P46937 1/20 0.40
TEAD4 Q15561 1/20 0.40

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
SCHEMBL8325749 0.97 SSTR4 (0.54) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL8327573 0.92 SSTR4 (0.49) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL25047728 0.92 SSTR4 (0.48) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL2259362 0.87 ROCK1 (0.48) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL14002386 0.87 SSTR4 (0.51) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL1849184 0.86 SSTR4 (0.51) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL15524465 0.86 SSTR4 (0.50) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL2258889 0.86 SSTR4 (0.50) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL2112935 0.85 HDAC3 (0.54) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL8331481 0.85 SSTR4 (0.42) SSTR4HDAC3HDAC1HDAC2NCOR2

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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 US disclosed
WO-2008109613-A1 BENZO[C][2,7]NAPHTHYRIDINE DERIVATIVES, AND THEIR USE AS KINASE INHIBITORS WYETH (US) 2008-09-12 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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 SSTR4 3719/4885HDAC3 1566/4885HDAC1 1351/4885

“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.