SCHEMBL5545568

SCHEMBL5545568

O=C(NCCN1CCNC1=O)c1ccccc1C(=O)NCCn1c(=O)c(C(=O)NCCN2CCNC2=O)c(O)c2ncc(Cc3ccc(F)cc3)cc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.46
GPR52 Q9Y2T5 1/20 0.44
POLR1A O95602 1/20 0.42
CREBBP Q92793 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NTRK1 P04629 2/20 0.38
JAK2 O60674 1/20 0.38
PLAT P00750 1/20 0.38
RAB9A P51151 1/20 0.37
HPGDS O60760 1/20 0.37
CNR2 P34972 3/20 0.36
SCN9A Q15858 2/20 0.36
ENPP2 Q13822 1/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL5548085 0.92 DRD2 (0.42) KDM4EALDH1A1LMNAGPR52CREBBP
SCHEMBL5539140 0.91 ALDH1A1 (0.42) KDM4EALDH1A1LMNAGPR52POLR1A
SCHEMBL5539127 0.90 KDM4E (0.41) KDM4EALDH1A1LMNAGPR52L3MBTL1
SCHEMBL5545364 0.90 L3MBTL1 (0.47) KDM4EALDH1A1LMNAGPR52L3MBTL1
SCHEMBL5538614 0.90 KDM4E (0.42) KDM4EALDH1A1LMNAGPR52POLR1A
SCHEMBL16009206 0.90 KDM4E (0.39) KDM4EALDH1A1LMNAGPR52CREBBP
SCHEMBL5546806 0.89 ALDH1A1 (0.41) KDM4EALDH1A1LMNAGPR52CREBBP
SCHEMBL5545515 0.88 MEN1 (0.42) KDM4EALDH1A1GPR52KMT2AMEN1
SCHEMBL5546543 0.88 ALDH1A1 (0.41) KDM4EALDH1A1LMNAGPR52CREBBP
SCHEMBL5545252 0.88 KDM4E (0.40) KDM4EALDH1A1LMNAGPR52L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 1268/4885ALDH1A1 3812/4885LMNA 3503/4885

“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.