SCHEMBL470382

SCHEMBL470382

COC(=O)[C@@H](OC(C)(C)C)c1c(C)nc2cc(-c3ccc4c(c3)CCCC4)nn2c1-c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.47
PSIP1 O75475 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 4/20 0.38
RXFP1 Q9HBX9 2/20 0.38
MAPT P10636 6/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 2/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
CASP3 P42574 1/20 0.35
ATM Q13315 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL10175499 0.94 NR1I2 (0.48) NR1I2PSIP1SMN1; SMN2ALDH1A1HPGD
SCHEMBL470378 0.92 NR1I2 (0.50) NR1I2PSIP1ALDH1A1HPGDHTT
SCHEMBL461811 0.92 NR1I2 (0.55) NR1I2PSIP1SMN1; SMN2ALDH1A1HPGD
SCHEMBL458941 0.92 NR1I2 (0.55) NR1I2PSIP1SMN1; SMN2ALDH1A1HPGD
SCHEMBL461199 0.90 PSIP1 (0.42) NR1I2PSIP1SMN1; SMN2ALDH1A1HPGD
SCHEMBL461198 0.90 PSIP1 (0.42) NR1I2PSIP1SMN1; SMN2ALDH1A1HPGD
SCHEMBL10175634 0.88 NR1I2 (0.51) NR1I2PSIP1SMN1; SMN2ALDH1A1HPGD
SCHEMBL461875 0.85 PSIP1 (0.56) NR1I2PSIP1SMN1; SMN2ALDH1A1HPGD
SCHEMBL462642 0.85 PSIP1 (0.56) NR1I2PSIP1SMN1; SMN2ALDH1A1HPGD
SCHEMBL457473 0.84 NR1I2 (0.59) NR1I2PSIP1HTTKDM4ETP53

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 3085/4885PSIP1 1676/4885SMN1; SMN2 2947/4885

“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.