SCHEMBL5545543

SCHEMBL5545543

CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(-c2cccc(S(=O)(=O)N3CCCCC3)c2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
ALPG P10696 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL5545610 0.92 MAPT (0.39) MAPTLMNASMN1; SMN2GAAALDH1A1
SCHEMBL15163569 0.91 HSD17B10 (0.46) MAPTLMNASMN1; SMN2GAAALDH1A1
SCHEMBL6061576 0.91 MAPT (0.41) MAPTLMNASMN1; SMN2GAAALDH1A1
SCHEMBL5548024 0.89 SMN1; SMN2 (0.38) MAPTLMNASMN1; SMN2GAAALDH1A1
SCHEMBL5547005 0.85 MEN1 (0.39) LMNAL3MBTL1MEN1KMT2A
SCHEMBL5545896 0.82 MEN1 (0.40) L3MBTL1MEN1POLBKMT2A
SCHEMBL5545952 0.80 MAPK14 (0.42) LMNAALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5547276 0.78 CNR2 (0.41) MAPTMEN1KMT2ATP53
SCHEMBL5545713 0.77 EGLN1 (0.40) MAPTLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL5538686 0.75 GPR52 (0.39) LMNAGAAALDH1A1L3MBTL1MEN1

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 MAPT 2173/4885LMNA 3503/4885SMN1; SMN2 4504/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 MAPT 949/4885LMNA 4134/4885SMN1; SMN2 4786/4885

“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.