SCHEMBL1754076

SCHEMBL1754076

O=C(O)c1cc2cnc(C(C(=O)Nc3ccccc3)C(=O)Nc3ccccc3)nc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
MAPT P10636 5/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 2/20 0.37
EGFR P00533 2/20 0.37
PKM P14618 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.37
HTT P42858 2/20 0.37
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL1754335 0.91 CSNK2A2 (0.44) KMT2AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL1689088 0.85 MAPT (0.34) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL1689085 0.84 HDAC1 (0.50) HDAC1
SCHEMBL29504669 0.70 KDM4E (0.51) BCL2L1MEN1KMT2AMAPTALDH1A1
SCHEMBL17842741 0.67 CHRNA7 (0.47) BCL2L1MEN1KMT2AMAPTALDH1A1
SCHEMBL5032047 0.65 DAO (0.50) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3562088 0.64 BCL2L1 (0.49) BCL2L1MAPTNPC1RAB9AKDM4E
SCHEMBL30492815 0.64 MEN1 (0.46) BCL2L1MEN1KMT2AMAPTALDH1A1
SCHEMBL25810935 0.64 MEN1 (0.46) BCL2L1MEN1KMT2AMAPTALDH1A1
SCHEMBL9851434 0.64 BCL2L1 (0.47) BCL2L1MEN1KMT2AALDH1A1SMN1; SMN2

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 6 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-8158825-B2 Modified malonate derivatives MERCK SHARP & DOHME CORP. (US) 2012-04-17 US disclosed
US-8158825-B2 Modified malonate derivatives MERCK SHARP & DOHME CORP. (US) 2012-04-17 US disclosed
US-20100160327-A1 Modified Malonate Derivatives MERCK SHARP & DOHME LLC 2010-06-24 US disclosed
US-20100160327-A1 Modified Malonate Derivatives MERCK SHARP & DOHME LLC 2010-06-24 US 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 BCL2L1 302/4885MEN1 1043/4885KMT2A 132/4885

“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.