SCHEMBL5538396

SCHEMBL5538396

CC(C)OCCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN2C(=O)c3ccccc3C2=O)c1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RXFP1 Q9HBX9 2/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
POLB P06746 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL5546696 0.96 MEN1 (0.41) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL5545331 0.90 MEN1 (0.43) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL5546756 0.88 KMT2A (0.42) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL5545834 0.88 KMT2A (0.42) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL5545546 0.88 KMT2A (0.42) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL5547364 0.88 L3MBTL1 (0.42) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL5540832 0.87 KDM4E (0.43) KMT2AMEN1KDM4ETSHRL3MBTL1
SCHEMBL5547368 0.87 KMT2A (0.46) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL5545649 0.86 KMT2A (0.41) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL5546802 0.86 MEN1 (0.39) KMT2AMEN1KDM4EALDH1A1HPGD

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