SCHEMBL16010305

SCHEMBL16010305

CC(C)OCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCCCNC(=O)O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 3/20 0.38
CNR2 P34972 1/20 0.37
POLB P06746 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HIF1A Q16665 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35

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
SCHEMBL5548593 0.95 L3MBTL1 (0.41) L3MBTL1KMT2AMEN1LMNACNR2
SCHEMBL5545834 0.95 KMT2A (0.42) L3MBTL1KMT2AMEN1LMNACNR2
SCHEMBL5546952 0.91 L3MBTL1 (0.41) L3MBTL1KMT2AMEN1LMNACNR2
SCHEMBL5545844 0.90 L3MBTL1 (0.41) L3MBTL1KMT2AMEN1LMNACNR2
SCHEMBL5548089 0.89 L3MBTL1 (0.40) L3MBTL1KMT2AMEN1LMNACNR2
SCHEMBL5546654 0.89 L3MBTL1 (0.40) L3MBTL1KMT2AMEN1LMNACNR2
SCHEMBL5546985 0.89 L3MBTL1 (0.41) L3MBTL1KMT2AMEN1LMNACNR2
SCHEMBL5545799 0.89 KDM4E (0.42) L3MBTL1KMT2AMEN1LMNACNR2
SCHEMBL16010302 0.89 L3MBTL1 (0.38) L3MBTL1KMT2AMEN1LMNACNR2
SCHEMBL5538863 0.89 L3MBTL1 (0.42) L3MBTL1KMT2AMEN1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 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 (2 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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 L3MBTL1 1411/4885KMT2A 502/4885MEN1 4802/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 L3MBTL1 1408/4885KMT2A 819/4885MEN1 4837/4885

“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.