SCHEMBL461015

SCHEMBL461015

COC(=O)C(OC(C)(C)C)c1c(C)nc2cc(-c3cccc(Cl)c3)nn2c1C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.42
ABCB1 P08183 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
KMT2A Q03164 1/20 0.40
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 5/20 0.38
HPGD P15428 5/20 0.38
KDM4E B2RXH2 4/20 0.38
HSD17B10 Q99714 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CNR2 P34972 2/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 2/20 0.38
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 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
SCHEMBL462882 1.00 NR1I2 (0.42) NR1I2ABCB1RXFP1NPSR1KMT2A
SCHEMBL462611 0.92 NR1I2 (0.49) NR1I2ABCB1RXFP1NPSR1KMT2A
SCHEMBL461832 0.92 NR1I2 (0.49) NR1I2ABCB1RXFP1NPSR1KMT2A
SCHEMBL461151 0.88 ABCB1 (0.43) ABCB1RXFP1NPSR1KMT2APDE4D
SCHEMBL461150 0.88 ABCB1 (0.43) ABCB1RXFP1NPSR1KMT2APDE4D
SCHEMBL461350 0.86 NR1I2 (0.42) NR1I2ABCB1NPSR1KMT2AALDH1A1
SCHEMBL462501 0.86 NR1I2 (0.42) NR1I2ABCB1NPSR1KMT2AALDH1A1
SCHEMBL457043 0.84 POLB (0.41) NR1I2ABCB1NPSR1KMT2AALDH1A1
SCHEMBL457042 0.84 POLB (0.41) NR1I2ABCB1NPSR1KMT2AALDH1A1
SCHEMBL461016 0.84 NR1I2 (0.51) NR1I2ABCB1RXFP1NPSR1KMT2A

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 3085/4885ABCB1 648/4885RXFP1 4546/4885

“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.