SCHEMBL4158885

SCHEMBL4158885

O=C(NO)c1c(C(=O)N2CCC[C@H]2CO)c2ccncc2n1Cc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
MAPT P10636 2/20 0.39
PDE10A Q9Y233 1/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 2/20 0.37
HTT P42858 1/20 0.37
NAMPT P43490 1/20 0.36
HDAC6 Q9UBN7 5/20 0.36
HDAC2 Q92769 1/20 0.36
USP1 O94782 1/20 0.36
HDAC1 Q13547 4/20 0.35
NFATC1 O95644 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL4161048 0.71 HDAC6 (0.45) HPGDMAPTPOLBSMN1; SMN2LMNA
SCHEMBL4158890 0.71 SLC22A12 (0.39) PDE10A
SCHEMBL4165476 0.71 PRKAA2 (0.39) HDAC6HDAC2HDAC1HDAC8PRKAA2
SCHEMBL4170836 0.64 HCRTR1 (0.38) PRKAA2
SCHEMBL4166413 0.64 HCRTR1 (0.38) PRKAA2
SCHEMBL17600731 0.64 POLB (0.53) POLB
SCHEMBL17600735 0.64 POLB (0.53) POLB
SCHEMBL15402004 0.62 PDE10A (0.48) MAPTPDE10APOLBLMNARAB9A
SCHEMBL17600743 0.62 DPP4 (0.52) HPGDPOLBNAMPT
SCHEMBL17600745 0.62 DPP4 (0.52) HPGDPOLBNAMPT

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 HPGD 1657/4885MAPT 615/4885PDE10A 2355/4885

“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.