SCHEMBL1689088

SCHEMBL1689088

NN(C(=O)c1cc2cnc(C(C(=O)Nc3ccccc3)C(=O)Nc3ccccc3)nc2s1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.34
GAA P10253 3/20 0.34
POLB P06746 3/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 1/20 0.34
ACP1 P24666 1/20 0.33
ATR Q13535 1/20 0.33
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
MEN1 O00255 2/20 0.32
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
EGFR P00533 1/20 0.32
HPGD P15428 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL1754076 0.85 BCL2L1 (0.38) MAPTGAAPOLBKDM4EALDH1A1
SCHEMBL1754335 0.81 CSNK2A2 (0.44) MAPTGAAPOLBKDM4EALDH1A1
SCHEMBL1689085 0.79 HDAC1 (0.50) HDAC1
SCHEMBL24743474 0.60 SMN1; SMN2 (0.47) MAPTGAAPOLBKDM4EALDH1A1
SCHEMBL11726723 0.60 MEN1 (0.56) MAPTGAAALDH1A1TSHRSMN1; SMN2
SCHEMBL16335038 0.59 MAPT (0.71) MAPTGAAPOLBKDM4EALDH1A1
SCHEMBL9769555 0.59 NPSR1 (0.52) MAPTGAAPOLBKDM4EALDH1A1
SCHEMBL29504661 0.58 LMNA (0.43) MAPTPOLBKDM4EALDH1A1PKM
SCHEMBL5516018 0.58 MAPT (0.58) MAPTGAAPOLBKDM4EALDH1A1
SCHEMBL16797444 0.57 BCL2L1 (0.47) GAALMNAHDAC1

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 10 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 claimed
US-8158825-B2 Modified malonate derivatives MERCK SHARP & DOHME CORP. (US) 2012-04-17 US claimed
US-20100160327-A1 Modified Malonate Derivatives MERCK SHARP & DOHME LLC 2010-06-24 US claimed
EP-1896395-A2 MODIFIED MALONATE DERIVATIVES Merck & Co., Inc. (US) 2008-03-12 EP claimed
WO-2007002248-A2 MODIFIED MALONATE DERIVATIVES MERCK & CO., INC. (US) 2007-01-04 WO claimed
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-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 MAPT 1502/4885GAA 713/4885POLB 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.