SCHEMBL5540769

SCHEMBL5540769

CCOC(=O)c1ncc(Cc2ccc(F)cc2)cc1NCCCSC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 2/20 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
KDM4C Q9H3R0 1/20 0.37
PDE4B Q07343 1/20 0.36
PTGER4 P35408 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 2/20 0.35
SLC26A6 Q9BXS9 2/20 0.35
BRD4 O60885 1/20 0.35
MAOB P27338 1/20 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
SCHEMBL5540936 0.86 KCNQ3 (0.41) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL4584162 0.84 PTGER4 (0.36) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL5004713 0.83 LMNA (0.44) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL5538446 0.83 ALDH1A1 (0.40) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL5540554 0.82 LMNA (0.39) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL5545678 0.82 MAPT (0.42) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL5543117 0.81 ALDH1A1 (0.45) KDM4EMAPTALDH1A1HPGDRAB9A
SCHEMBL5545808 0.81 ALDH1A1 (0.43) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL5545570 0.81 ALDH1A1 (0.43) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL5540809 0.81 ALDH1A1 (0.43) MEN1KMT2AKDM4EMAPTALDH1A1

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 MEN1 4802/4885KMT2A 502/4885KDM4E 1268/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 MEN1 4837/4885KMT2A 819/4885KDM4E 1255/4885

“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.