SCHEMBL2882845

SCHEMBL2882845

O=C(O)Nc1ccccc1NC(=O)c1ccc(I)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
POLB P06746 1/20 0.58
HPGD P15428 1/20 0.58
F10 P00742 1/20 0.54
HDAC3 O15379 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
MDM4 O15151 1/20 0.53
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
TERT O14746 1/20 0.51
TOP1 P11387 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
DHODH Q02127 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 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
SCHEMBL7103601 0.92 MEN1 (0.68) KMT2AMEN1POLBHPGDF10
SCHEMBL338745 0.84 SIRT2 (0.56) KMT2AMEN1POLBHPGDF10
SCHEMBL1705539 0.84 HDAC1 (0.61) KMT2AMEN1POLBHPGDF10
SCHEMBL338564 0.84 MEN1 (0.58) KMT2AMEN1POLBHPGDF10
SCHEMBL2732354 0.84 HPGD (0.77) KMT2AMEN1POLBHPGDHDAC1
SCHEMBL5931215 0.82 DHODH (0.76) KMT2AMEN1NPC1RAB9ADHODH
SCHEMBL1110180 0.82 MDM4 (0.73) KMT2AMEN1POLBHPGDF10
SCHEMBL308111 0.81 NPC1 (0.72) KMT2AMEN1POLBF10HDAC1
SCHEMBL5718666 0.81 PTPN1 (0.71) KMT2AMEN1POLBHDAC3HDAC1
SCHEMBL2686342 0.81 KMT2A (0.54) KMT2AMEN1POLBHPGDF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896395-B1 MODIFIED MALONATE DERIVATIVES MERCK SHARP & DOHME (US) 2015-07-15 EP disclosed
US-20100160327-A1 Modified Malonate Derivatives MERCK SHARP & DOHME LLC 2010-06-24 US disclosed
EP-1896395-A2 MODIFIED MALONATE DERIVATIVES Merck & Co., Inc. (US) 2008-03-12 EP disclosed
WO-2007002248-A2 MODIFIED MALONATE DERIVATIVES MERCK & CO., INC. (US) 2007-01-04 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-20100160327-A1 Modified Malonate Derivatives ME2, ME3, ME1 KMT2A 132/4885MEN1 1043/4885POLB 3143/4885

“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.