SCHEMBL10175404

SCHEMBL10175404

Cc1ccc(-c2cc3nc(C)c(C(OC(C)(C)C)C(=O)O)c(-c4ccc5c(c4)CCCO5)n3n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.61
PSIP1 O75475 1/20 0.49
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
THRB P10828 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL470438 0.97 NR1I2 (0.63) NR1I2PSIP1CYP3A4ALDH1A1LMNA
SCHEMBL12091046 0.95 NR1I2 (0.68) NR1I2PSIP1CYP3A4ALDH1A1LMNA
SCHEMBL458952 0.94 NR1I2 (0.60) NR1I2PSIP1CYP3A4ALDH1A1LMNA
SCHEMBL459320 0.94 NR1I2 (0.60) NR1I2PSIP1CYP3A4ALDH1A1LMNA
SCHEMBL461802 0.93 NR1I2 (0.61) NR1I2PSIP1CYP3A4ALDH1A1LMNA
SCHEMBL10174947 0.92 NR1I2 (0.61) NR1I2PSIP1CYP3A4ALDH1A1LMNA
SCHEMBL470388 0.90 NR1I2 (0.63) NR1I2PSIP1CYP3A4ALDH1A1LMNA
SCHEMBL462642 0.87 PSIP1 (0.56) NR1I2PSIP1CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL461875 0.87 PSIP1 (0.56) NR1I2PSIP1CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL10175634 0.86 NR1I2 (0.51) NR1I2PSIP1CYP3A4ALDH1A1LMNA

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 1676/4885CYP3A4 1719/4885

“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.