SCHEMBL4166990

SCHEMBL4166990

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.41
HDAC6 Q9UBN7 6/20 0.41
MMP13 P45452 1/20 0.41
MAOB P27338 1/20 0.39
BRD4 O60885 3/20 0.39
HDAC2 Q92769 5/20 0.38
HDAC8 Q9BY41 5/20 0.38
HDAC3 O15379 4/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HDAC9 Q9UKV0 4/20 0.37
HDAC4 P56524 3/20 0.37
HDAC7 Q8WUI4 3/20 0.37
HDAC10 Q969S8 3/20 0.37
HDAC11 Q96DB2 3/20 0.37
HDAC5 Q9UQL6 3/20 0.37
NCOR2 Q9Y618 3/20 0.37

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
SCHEMBL4161028 0.87 MEN1 (0.42) HDAC1MMP13HDAC2MEN1KMT2A
SCHEMBL4175427 0.87 BRD4 (0.40) MMP13MAOBBRD4POLBLMNA
SCHEMBL1684250 0.86 KMT2A (0.42) HDAC1HDAC6MMP13HDAC8HDAC3
SCHEMBL1684129 0.86 POLB (0.42) HDAC1HDAC6MMP13MAOBHDAC2
SCHEMBL1684278 0.84 TP53 (0.38) MMP13POLBLMNASMN1; SMN2MEN1
SCHEMBL4158917 0.82 LMNA (0.40) HDAC1HDAC6MMP13MAOBHDAC2
SCHEMBL14542133 0.81 MMP13 (0.44) HDAC1HDAC6MMP13MAOBHDAC2
SCHEMBL4158348 0.79 MLNR (0.47) MEN1KMT2A
SCHEMBL5252763 0.77 CACNB4 (0.41) HDAC1HDAC6MMP13MAOBHDAC2
SCHEMBL4165161 0.75 MEN1 (0.44) POLBSMN1; SMN2MEN1KMT2AMAPT

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 9 patents. 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
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
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
EP-1943249-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-07-16 EP disclosed
WO-2007039802-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-12 WO 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 HDAC1 535/4885HDAC6 2063/4885MMP13 2378/4885

“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.