SCHEMBL5540936

SCHEMBL5540936

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.41
KCNQ2 O43526 3/20 0.41
KCNQ4 P56696 1/20 0.41
KCNQ5 Q9NR82 1/20 0.41
THRB P10828 1/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
CCR6 P51684 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
NMT2 O60551 1/20 0.39
NMT1 P30419 1/20 0.39
PDE4B Q07343 1/20 0.39

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
SCHEMBL5004713 0.87 LMNA (0.44) THRBMEN1KMT2AMAPTLMNA
SCHEMBL5538446 0.86 ALDH1A1 (0.40) KCNQ3KCNQ2KCNQ4KCNQ5THRB
SCHEMBL5540769 0.86 MEN1 (0.37) KCNQ3KCNQ2KCNQ4KCNQ5THRB
SCHEMBL5540554 0.86 LMNA (0.39) THRBMEN1KMT2AMAPTLMNA
SCHEMBL5545678 0.85 MAPT (0.42) KCNQ3KCNQ2KCNQ4KCNQ5THRB
SCHEMBL5545753 0.84 LMNA (0.46) KCNQ3KCNQ2KCNQ4KCNQ5THRB
SCHEMBL4584162 0.83 PTGER4 (0.36) THRBMEN1KMT2AMAPTLMNA
SCHEMBL5541057 0.83 ADORA3 (0.40) KCNQ3KCNQ2KCNQ4KCNQ5MEN1
SCHEMBL5546530 0.82 ALDH1A1 (0.45) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL14072834 0.82 LMNA (0.40) THRBMEN1KMT2AMAPTLMNA

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
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
EP-1720856-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005077050-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 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 (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 KCNQ3 3448/4885KCNQ2 3577/4885KCNQ4 3598/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 KCNQ3 4488/4885KCNQ2 4482/4885KCNQ4 4552/4885

“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.