SCHEMBL5388469

SCHEMBL5388469

CCOC(=O)c1nc2n(c(=O)c1O)CCCC2(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
OGFRL1 Q5TC84 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 2/20 0.35
KDM5B Q9UGL1 2/20 0.34
PDE3B Q13370 6/20 0.34
PDE3A Q14432 6/20 0.34
CYP1A2 P05177 1/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL12778022 0.96 MAPT (0.38) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL5388733 0.93 MAPT (0.37) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL14064595 0.88 KDM4E (0.38) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL1169796 0.88 KDM4E (0.38) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL13647713 0.83 KDM5B (0.37) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL1169659 0.83 KDM4E (0.36) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL14064612 0.82 KDM4E (0.37) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL12777960 0.82 KDM4E (0.36) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL1169977 0.82 ALDH1A1 (0.38) MAPTKDM4EALDH1A1RAB9AOGFRL1
SCHEMBL1169812 0.80 L3MBTL1 (0.36) MAPTKDM4EALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902182-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 US disclosed
US-7902182-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 US disclosed
WO-2007059229-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-24 WO disclosed
US-20070111985-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 US disclosed
US-20070111985-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 US disclosed
US-7173022-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173022-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173022-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-20050267131-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 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-20070111985-A1 HIV integrase inhibitors TYMP, POLN, IMPDH1 MAPT 3221/4885KDM4E 701/4885ALDH1A1 348/4885
US-20050267131-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TOP1, APOBEC3C MAPT 3718/4885KDM4E 1231/4885ALDH1A1 532/4885

“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.