SCHEMBL3016071

SCHEMBL3016071

COc1cnc([N+](=O)[O-])c(Nc2cnc3c(c2)CCC(NC(=O)O)C3)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.35
MTNR1B P49286 4/20 0.35
MAPT P10636 5/20 0.34
AKR1C3 P42330 4/20 0.34
AKR1C2 P52895 4/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
ACHE P22303 2/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CTSV O60911 1/20 0.32
CTSL P07711 1/20 0.32
PABPC1 P11940 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AKR1B10 O60218 1/20 0.31
AKR1B1 P15121 1/20 0.31

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
SCHEMBL3016078 1.00 MTNR1A (0.35) MTNR1AMTNR1BMAPTAKR1C3AKR1C2
SCHEMBL3020927 0.86 HDAC8 (0.31)
SCHEMBL3020933 0.86 HDAC8 (0.31)
SCHEMBL3020759 0.85 MTNR1A (0.38) MTNR1AMTNR1BMAPTAKR1C3AKR1C2
SCHEMBL3011621 0.78 TXNRD1 (0.37) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL3011611 0.78 TXNRD1 (0.37) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL3020769 0.76 HDAC8 (0.43) MTNR1AMTNR1BMAPTLMNAALDH1A1
SCHEMBL3020771 0.76 HDAC8 (0.43) MTNR1AMTNR1BMAPTLMNAALDH1A1
SCHEMBL3668160 0.73 PIK3CA (0.34) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3021312 0.71 AKR1C3 (0.45) MAPTAKR1C3AKR1C2MEN1KMT2A

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-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 US disclosed
EP-2139898-A1 COMPOUNDS Glaxo Group Limited (GB) 2010-01-06 EP disclosed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 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-20100197679-A1 COMPOUNDS NRDC, MRPL21, NISCH MTNR1A 4161/4885MTNR1B 3836/4885MAPT 1667/4885

“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.