SCHEMBL5545252

SCHEMBL5545252

O=C(NCCN1CCNC1=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC2CC2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.39
DRD2 P14416 1/20 0.38
HTR2C P28335 1/20 0.38
HRH1 P35367 1/20 0.38
JAK2 O60674 1/20 0.38
NTRK1 P04629 1/20 0.38
GPR52 Q9Y2T5 1/20 0.38
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGDS O60760 1/20 0.37
CNR2 P34972 4/20 0.37
CNR1 P21554 2/20 0.37
HIF1A Q16665 1/20 0.37
LMNA P02545 1/20 0.36
SLC8A1 P32418 1/20 0.36
SCN9A Q15858 1/20 0.36
PLAT P00750 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TLR2 O60603 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
SCHEMBL5545364 0.90 L3MBTL1 (0.47) KDM4EALDH1A1DRD2HTR2CHRH1
SCHEMBL5539140 0.89 ALDH1A1 (0.42) KDM4EALDH1A1DRD2HTR2CHRH1
SCHEMBL5539127 0.89 KDM4E (0.41) KDM4EALDH1A1DRD2HTR2CHRH1
SCHEMBL5548085 0.89 DRD2 (0.42) KDM4EALDH1A1DRD2HTR2CHRH1
SCHEMBL5546543 0.88 ALDH1A1 (0.41) KDM4EALDH1A1DRD2HTR2CHRH1
SCHEMBL5545568 0.88 KDM4E (0.49) KDM4EALDH1A1JAK2NTRK1GPR52
SCHEMBL5547450 0.88 KDM4E (0.41) KDM4EALDH1A1DRD2HTR2CHRH1
SCHEMBL5539044 0.87 KMT2A (0.46) KDM4EALDH1A1DRD2HTR2CHRH1
SCHEMBL5540555 0.87 HIF1A (0.41) KDM4EGPR52KMT2ACNR2CNR1
SCHEMBL16009206 0.87 KDM4E (0.39) KDM4EALDH1A1DRD2HTR2CHRH1

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 1268/4885ALDH1A1 3812/4885DRD2 1550/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 KDM4E 1255/4885ALDH1A1 3073/4885DRD2 3368/4885

“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.