SCHEMBL5546992

SCHEMBL5546992

CCOC(=O)c1ncc(Cc2ccc(F)cc2)cc1NCCN(C)C(=O)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
HDAC1 Q13547 1/20 0.38
MMP13 P45452 1/20 0.38
LMNA P02545 5/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
CCR6 P51684 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
LTA4H P09960 4/20 0.36
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 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
SCHEMBL5545912 0.95 HDAC1 (0.37) KMT2AHDAC1MMP13LMNAKDM4E
SCHEMBL5538658 0.82 LTA4H (0.37) KMT2AHDAC1MMP13LMNAKDM4E
SCHEMBL5540936 0.80 KCNQ3 (0.41) KMT2ALMNAKDM4EMAPTALDH1A1
SCHEMBL5538446 0.79 ALDH1A1 (0.40) KMT2ALMNAKDM4EMAPTALDH1A1
SCHEMBL5004713 0.77 LMNA (0.44) KMT2ALMNAKDM4EMAPTALDH1A1
SCHEMBL5540554 0.77 LMNA (0.39) KMT2ALMNAKDM4EMAPTALDH1A1
SCHEMBL5540769 0.77 MEN1 (0.37) KMT2ALMNAKDM4EMAPTALDH1A1
SCHEMBL5546530 0.77 ALDH1A1 (0.45) KMT2ALMNAKDM4EMAPTALDH1A1
SCHEMBL5545678 0.76 MAPT (0.42) KMT2ALMNAKDM4EMAPTALDH1A1
SCHEMBL5545422 0.75 LTA4H (0.44) KMT2ALMNAKDM4EMAPTALDH1A1

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
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
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 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 KMT2A 502/4885HDAC1 252/4885MMP13 4568/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 KMT2A 819/4885HDAC1 358/4885MMP13 4470/4885

“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.