SCHEMBL5545408

SCHEMBL5545408

CCOC(=O)c1c(OC(=O)c2ccccc2)c2ncc(Cc3ccc(F)cc3NS(C)(=O)=O)cc2n(C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 2/20 0.34
TLR4 O00206 3/20 0.34
PABPC1 P11940 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL16021064 0.92 TSHR (0.38) MEN1KMT2ATSHRLMNATHRB
SCHEMBL5540785 0.90 TSHR (0.38) MEN1KMT2ATSHRLMNATHRB
SCHEMBL14067482 0.88 ALDH1A1 (0.38) MEN1KMT2ATSHRLMNATHRB
SCHEMBL14067449 0.88 ALDH1A1 (0.38) MEN1KMT2ATSHRLMNATHRB
SCHEMBL5540779 0.87 TSHR (0.36) TSHRLMNATHRBALDH1A1KDM4E
SCHEMBL5541083 0.87 ELANE (0.36) MEN1KMT2ATSHRTHRBALDH1A1
SCHEMBL5541134 0.87 TSHR (0.36) MEN1KMT2ATSHRTHRBALDH1A1
SCHEMBL4901376 0.87 ALDH1A1 (0.39) MEN1KMT2ATSHRLMNATHRB
SCHEMBL4909515 0.87 ALDH1A1 (0.37) MEN1KMT2ATSHRLMNATHRB
SCHEMBL5546966 0.87 ALDH1A1 (0.37) MEN1KMT2ATSHRLMNATHRB

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 MEN1 4802/4885KMT2A 502/4885TSHR 4052/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 MEN1 4837/4885KMT2A 819/4885TSHR 4622/4885

“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.