SCHEMBL5545753

SCHEMBL5545753

CCOC(=O)c1ncc(Cc2ccc(F)cc2)cc1Nc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.44
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CASP3 P42574 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SLC2A1 P11166 1/20 0.42
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
CCR6 P51684 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
TP53 P04637 2/20 0.41
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40

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
SCHEMBL4715889 0.90 MEN1 (0.41) LMNAPOLBMAPTMEN1KMT2A
SCHEMBL5004713 0.90 LMNA (0.44) LMNAKDM4EALDH1A1POLBMAPT
SCHEMBL5538446 0.84 ALDH1A1 (0.40) LMNAKDM4EALDH1A1POLBMAPT
SCHEMBL14072834 0.84 LMNA (0.40) LMNAKDM4EALDH1A1POLBMAPT
SCHEMBL5545652 0.84 HDAC4 (0.41) LMNAKDM4EALDH1A1POLBMAPT
SCHEMBL5545758 0.84 SAE1 (0.45) LMNAPOLBMAPTMEN1KMT2A
SCHEMBL5545527 0.84 LMNA (0.39) LMNAKDM4EALDH1A1POLBMAPT
SCHEMBL5545678 0.84 MAPT (0.42) LMNAKDM4EALDH1A1POLBMAPT
SCHEMBL4714790 0.84 BRD4 (0.47) LMNAKDM4EALDH1A1POLBMAPT
SCHEMBL5540936 0.84 KCNQ3 (0.41) LMNAKDM4EALDH1A1POLBMAPT

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 LMNA 3503/4885KDM4E 1268/4885ALDH1A1 3812/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 LMNA 4134/4885KDM4E 1255/4885ALDH1A1 3073/4885

“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.