SCHEMBL5545364

SCHEMBL5545364

CCn1c(=O)c(C(=O)NCCN2CCNC2=O)c(O)c2ncc(Cc3ccc(F)cc3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
KDM4E B2RXH2 9/20 0.42
LMNA P02545 5/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGDS O60760 1/20 0.40
HTT P42858 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX12 P18054 1/20 0.39
GPR52 Q9Y2T5 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 2/20 0.38
DRD2 P14416 1/20 0.38
HTR2C P28335 1/20 0.38
HRH1 P35367 1/20 0.38

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) L3MBTL1KDM4ELMNAKMT2ARAB9A
SCHEMBL5546543 0.92 ALDH1A1 (0.41) L3MBTL1KDM4ELMNAKMT2ARAB9A
SCHEMBL5539140 0.91 ALDH1A1 (0.42) L3MBTL1KDM4ELMNAKMT2ARAB9A
SCHEMBL5539044 0.91 KMT2A (0.46) L3MBTL1KDM4ELMNAKMT2ARAB9A
SCHEMBL5539127 0.91 KDM4E (0.41) L3MBTL1KDM4ELMNAKMT2ARAB9A
SCHEMBL16009206 0.90 KDM4E (0.39) L3MBTL1KDM4ELMNAKMT2ARAB9A
SCHEMBL5545252 0.90 KDM4E (0.40) L3MBTL1KDM4ELMNAKMT2ARAB9A
SCHEMBL5545568 0.90 KDM4E (0.49) L3MBTL1KDM4ELMNAKMT2ARAB9A
SCHEMBL5546806 0.90 ALDH1A1 (0.41) L3MBTL1KDM4ELMNAKMT2ARAB9A
SCHEMBL5546931 0.89 HPGDS (0.40) L3MBTL1KDM4EKMT2ARAB9AALDH1A1

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 6 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
EP-1720856-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005077050-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 WO 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 L3MBTL1 1411/4885KDM4E 1268/4885LMNA 3503/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 L3MBTL1 1408/4885KDM4E 1255/4885LMNA 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.