SCHEMBL461430

SCHEMBL461430

COC(=O)C(OC(C)(C)C)c1c(C)nc2cc(-c3cccc(-c4ccccc4C)c3)nn2c1-c1cc(F)c2c(c1C)CCCO2

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.79
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ABCB1 P08183 2/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL461429 1.00 NR1I2 (0.79) NR1I2POLBALDH1A1KDM4ELMNA
SCHEMBL470356 0.94 NR1I2 (0.89) NR1I2
SCHEMBL12079386 0.94 NR1I2 (0.89) NR1I2
SCHEMBL461702 0.94 NR1I2 (0.89) NR1I2POLBALDH1A1KDM4ELMNA
SCHEMBL461646 0.94 NR1I2 (0.89) NR1I2POLBALDH1A1KDM4ELMNA
SCHEMBL462486 0.94 NR1I2 (0.89) NR1I2POLBALDH1A1KDM4ELMNA
SCHEMBL461701 0.92 NR1I2 (0.78) NR1I2POLBALDH1A1KDM4ELMNA
SCHEMBL461221 0.92 NR1I2 (0.78) NR1I2POLBALDH1A1KDM4ELMNA
SCHEMBL461222 0.92 NR1I2 (0.78) NR1I2POLBALDH1A1KDM4ELMNA
SCHEMBL470437 0.90 NR1I2 (0.89) NR1I2

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-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
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 NR1I2 3085/4885POLB 22/4885ALDH1A1 3327/4885

“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.