SCHEMBL4161048

SCHEMBL4161048

CC(=O)Nc1c(C(=O)NO)n(Cc2ccc(F)cc2)c2cnccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.45
HDAC2 Q92769 2/20 0.45
TP53 P04637 5/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 3/20 0.40
ENPP2 Q13822 1/20 0.40
HPGD P15428 2/20 0.40
NFATC1 O95644 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
MAOB P27338 1/20 0.39
NLRP3 Q96P20 1/20 0.39
HDAC3 O15379 1/20 0.38
GAA P10253 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL4158885 0.71 HPGD (0.40) HDAC6HDAC2TP53POLBMAPT
SCHEMBL27917544 0.69 HDAC2 (0.57) HDAC6HDAC2TP53NFATC1GSK3B
SCHEMBL3846288 0.68 NFATC1 (0.50) HDAC6HDAC2TP53POLBMAPT
SCHEMBL4911360 0.65 ROCK2 (0.37) HDAC6HDAC2GSK3BHDAC3HDAC1
SCHEMBL5851593 0.65 HDAC6 (0.57) HDAC6HDAC2HDAC3HDAC1HDAC10
SCHEMBL4914461 0.64 HDAC6 (0.40) HDAC6HDAC2POLBHDAC3HDAC1
SCHEMBL4903916 0.64 TP53 (0.67) TP53POLBMAPTENPP2HPGD
SCHEMBL7608933 0.63 CCR2 (0.48) HDAC6HDAC2POLBHDAC3GAA
SCHEMBL4913829 0.62 TUBB4A (0.37) HDAC6HDAC2MAPTMAOBHDAC3
SCHEMBL28966136 0.62 HDAC6 (1.00) HDAC6HDAC2HDAC3HDAC1HDAC10

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-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US claimed

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-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, IMPA1, TYMP HDAC6 2063/4885HDAC2 1080/4885TP53 515/4885

“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.