SCHEMBL5547368

SCHEMBL5547368

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HIF1A Q16665 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
RXFP1 Q9HBX9 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
WNT1 P04628 1/20 0.37
LIPG Q9Y5X9 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
SCHEMBL5545553 0.96 KMT2A (0.48) KMT2AMEN1LMNATSHRKDM4E
SCHEMBL5538979 0.91 MEN1 (0.48) KMT2AMEN1TSHRKDM4EALDH1A1
SCHEMBL5545546 0.90 KMT2A (0.42) KMT2AMEN1LMNATSHRKDM4E
SCHEMBL5545834 0.90 KMT2A (0.42) KMT2AMEN1LMNATSHRKDM4E
SCHEMBL5546756 0.90 KMT2A (0.42) KMT2AMEN1LMNATSHRKDM4E
SCHEMBL5538891 0.89 MEN1 (0.46) KMT2AMEN1LMNATSHRKDM4E
SCHEMBL5538683 0.88 MEN1 (0.46) KMT2AMEN1TSHRKDM4EHIF1A
SCHEMBL5545991 0.88 MEN1 (0.46) KMT2AMEN1TSHRKDM4EHIF1A
SCHEMBL5546508 0.88 MEN1 (0.50) KMT2AMEN1TSHRKDM4EHIF1A
SCHEMBL5545391 0.88 MEN1 (0.50) KMT2AMEN1TSHRKDM4EHIF1A

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 4802/4885LMNA 3503/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 KMT2A 819/4885MEN1 4837/4885LMNA 4134/4885

“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.