SCHEMBL1684129

SCHEMBL1684129

CC(=O)Nc1cn(Cc2ccc(F)cc2)c2cnc(C(=O)NO)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAOB P27338 1/20 0.42
MMP13 P45452 1/20 0.42
HDAC1 Q13547 5/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC3 O15379 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
ENPP2 Q13822 4/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
NCOR2 Q9Y618 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
P2RY14 Q15391 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
SCHEMBL4166990 0.86 HDAC1 (0.41) POLBMAOBMMP13HDAC1HDAC2
SCHEMBL1684246 0.86 POLB (0.40) POLBTDP1MAOBMMP13ENPP2
SCHEMBL14542133 0.83 MMP13 (0.44) POLBMAOBMMP13HDAC1HDAC2
SCHEMBL4161028 0.81 MEN1 (0.42) MMP13HDAC1HDAC2MEN1KMT2A
SCHEMBL1684250 0.80 KMT2A (0.42) POLBMMP13HDAC1HDAC3HDAC8
SCHEMBL4158917 0.79 LMNA (0.40) POLBMAOBMMP13HDAC1HDAC2
SCHEMBL1684278 0.78 TP53 (0.38) POLBTDP1MMP13TP53MAPT
SCHEMBL4161051 0.76 RAB9A (0.40) POLBTDP1HDAC1HDAC2HDAC3
SCHEMBL4805048 0.76 HDAC6 (0.50) POLBMAOBMMP13HDAC1HDAC2
SCHEMBL5255421 0.75 HDAC3 (0.46) MAOBMMP13HDAC1HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943249-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-07-16 EP claimed
WO-2007039802-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-12 WO claimed
WO-2011041512-A2 COMPOSITIONS AND METHODS FOR TREATING MLV-INFECTION, AND PREVENTING AND TREATING MLV-INITIATED DISEASES EMORY UNIVERSITY (US) 2011-04-07 WO disclosed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US disclosed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US disclosed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US disclosed
WO-2007039802-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-12 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-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, IMPA1, TYMP POLB 36/4885TDP1 50/4885MAOB 1073/4885

“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.