SCHEMBL458947

SCHEMBL458947

COC(=O)C(O)c1c(C)nc2c(-c3ccccc3)cnn2c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MAPT P10636 10/20 0.46
RAB9A P51151 10/20 0.46
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 10/20 0.46
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
CASP3 P42574 2/20 0.46
SENP8 Q96LD8 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
SENP6 Q9GZR1 2/20 0.46
TDP1 Q9NUW8 2/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
HPGD P15428 3/20 0.44
TP53 P04637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL470294 0.90 ALDH1A1 (0.43) KDM4EL3MBTL1MAPTRAB9AALDH1A1
SCHEMBL458296 0.85 KDM4E (0.46) KDM4EL3MBTL1MAPTRAB9AALDH1A1
SCHEMBL457888 0.77 MAPT (0.47) KDM4EMAPTRAB9AALDH1A1NPC1
SCHEMBL456291 0.77 KDM4E (0.65) KDM4EL3MBTL1MAPTRAB9AALDH1A1
SCHEMBL12091186 0.76 KDM4E (0.44) KDM4EL3MBTL1MAPTRAB9AALDH1A1
SCHEMBL457589 0.73 SMN1; SMN2 (0.32) KDM4EL3MBTL1TDP1SMN1; SMN2LMNA
SCHEMBL458967 0.69 DPP4 (0.45) KDM4EMAPTRAB9AALDH1A1NPC1
SCHEMBL458966 0.69 DPP4 (0.45) KDM4EMAPTRAB9AALDH1A1NPC1
SCHEMBL470270 0.69 KDM4E (0.66) KDM4EL3MBTL1MAPTRAB9AALDH1A1
SCHEMBL13191677 0.69 MEN1 (0.48) KDM4EL3MBTL1ALDH1A1MEN1KMT2A

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-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 US disclosed
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 US disclosed
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 US disclosed
EP-2614064-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2013-07-17 EP disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 US disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 US disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 US disclosed
WO-2012033735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 WO disclosed
WO-2012033735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 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 (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-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, RTF2, MAVS KDM4E 2143/4885L3MBTL1 2590/4885MAPT 2620/4885

“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.