SCHEMBL7074306

SCHEMBL7074306

CC(=O)Nc1cccc(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.57
TSHR P16473 1/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 2/20 0.56
KAT6A Q92794 1/20 0.53
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MEN1 O00255 2/20 0.51
STAT3 P40763 1/20 0.51
PRMT5 O14744 1/20 0.50
WDR77 Q9BQA1 1/20 0.50

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
SCHEMBL31396764 0.91 KMT2A (0.59) NAMPTKMT2APOLBKAT6AHDAC3
SCHEMBL7719125 0.90 NAMPT (0.57) NAMPTKMT2APOLBKAT6AHDAC3
SCHEMBL23898931 0.89 NAMPT (0.61) NAMPTTSHRKMT2AKAT6AHDAC1
SCHEMBL31396758 0.88 KMT2A (0.62) NAMPTKMT2APOLBKAT6AHDAC3
SCHEMBL29867230 0.84 CYP1A2 (0.61) KMT2AKAT6AHDAC3HDAC1HDAC2
SCHEMBL5337975 0.84 CYP1A2 (0.61) KMT2AKAT6AHDAC3HDAC1HDAC2
SCHEMBL24006370 0.84 NAMPT (0.61) NAMPTKMT2APOLBKAT6AHDAC3
SCHEMBL7081103 0.84 HPGD (0.58) NAMPTKMT2APOLBKAT6AHDAC3
SCHEMBL23899079 0.83 NAMPT (0.65) NAMPTKMT2AHDAC3HDAC1HDAC2
SCHEMBL25844198 0.83 KCNK9 (0.56) KMT2APOLBKAT6AHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2003-02-20 US disclosed
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2002-02-28 US disclosed
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group AMERICAN HOME PRODUCTS CORPORATION (US) 2001-11-08 US 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 (3 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-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses HAVCR2, CCR6, CXCR6 NAMPT 3260/4885TSHR 60/4885KMT2A 2957/4885
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group CCR6, HAVCR2, BCOR NAMPT 3999/4885TSHR 174/4885KMT2A 2484/4885
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses TK1, TPMT, CXCR6 NAMPT 4031/4885TSHR 881/4885KMT2A 1121/4885

“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.