SCHEMBL10175413

SCHEMBL10175413

COc1ccc(-c2c(C(OC(C)(C)C)C(=O)O)c(C)nc3cc(-c4ccccc4)nn23)cc1C

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.60
MAPT P10636 8/20 0.43
THRB P10828 1/20 0.43
SMPD3 Q9NY59 1/20 0.42
TP53 P04637 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
PSIP1 O75475 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
SCHEMBL12091050 0.94 NR1I2 (0.58) NR1I2MAPTTHRBSMPD3TP53
SCHEMBL12090988 0.92 NR1I2 (0.61) NR1I2MAPTTHRBSMPD3TP53
SCHEMBL461476 0.91 NR1I2 (0.63) NR1I2MAPTPOLBNPC1ALDH1A1
SCHEMBL10175625 0.90 NR1I2 (0.57) NR1I2MAPTTHRBSMPD3TP53
SCHEMBL12090993 0.90 NR1I2 (0.57) NR1I2MAPTTHRBSMPD3TP53
SCHEMBL470281 0.89 NR1I2 (0.66) NR1I2MAPTTHRBNPC1ALDH1A1
SCHEMBL12091025 0.89 NR1I2 (0.66) NR1I2MAPTTP53TDP1POLB
SCHEMBL12090996 0.88 NR1I2 (0.60) NR1I2MAPTTP53TDP1POLB
SCHEMBL12091038 0.87 NR1I2 (0.66) NR1I2MAPTTHRBNPC1ALDH1A1
SCHEMBL12090955 0.87 NR1I2 (0.61) NR1I2MAPTTHRBTP53POLB

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 5 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-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

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 3085/4885MAPT 2620/4885THRB 4801/4885

“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.