SCHEMBL5538544

SCHEMBL5538544

Cn1ccnc1Cn1c(=O)c(C(=O)NCCCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
CNR2 P34972 8/20 0.37
CNR1 P21554 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NAMPT P43490 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL5546944 0.98 KDM4E (0.41) KDM4ESMN1; SMN2L3MBTL1CNR2CNR1
SCHEMBL5545708 0.95 L3MBTL1 (0.39) KDM4ESMN1; SMN2L3MBTL1CNR2CNR1
SCHEMBL5545924 0.90 L3MBTL1 (0.38) L3MBTL1CNR2CNR1MEN1KMT2A
SCHEMBL5545823 0.89 CNR2 (0.39) SMN1; SMN2L3MBTL1CNR2CNR1MEN1
SCHEMBL5545566 0.85 NAMPT (0.36) KDM4EL3MBTL1CNR2CNR1MEN1
SCHEMBL5545799 0.84 KDM4E (0.42) KDM4ESMN1; SMN2L3MBTL1CNR2MEN1
SCHEMBL5545945 0.84 ALDH1A1 (0.42) KDM4ESMN1; SMN2L3MBTL1CNR2MEN1
SCHEMBL15163560 0.84 TP53 (0.42) KDM4ESMN1; SMN2L3MBTL1CNR2CNR1
SCHEMBL5545883 0.84 NAMPT (0.37) KDM4ESMN1; SMN2L3MBTL1CNR2CNR1
SCHEMBL5545559 0.83 L3MBTL1 (0.41) KDM4ESMN1; SMN2L3MBTL1CNR2MEN1

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 KDM4E 1268/4885SMN1; SMN2 4504/4885L3MBTL1 1411/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 KDM4E 1255/4885SMN1; SMN2 4786/4885L3MBTL1 1408/4885

“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.