SCHEMBL3182140

SCHEMBL3182140

O=C(NCc1ccccc1)c1cccnc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.68
MAPK8 P45983 1/20 0.64
ATM Q13315 1/20 0.64
EGLN1 Q9GZT9 1/20 0.64
KMT2A Q03164 3/20 0.61
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58
HPGD P15428 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ADORA2A P29274 1/20 0.58
USP2 O75604 1/20 0.57
APEX1 P27695 1/20 0.57
METAP2 P50579 1/20 0.56
CHRNB2 P17787 1/20 0.56
CHRNB4 P30926 1/20 0.56
CHRNA3 P32297 1/20 0.56
CHRNA4 P43681 1/20 0.56
SGMS2 Q8NHU3 1/20 0.56
MAPT P10636 2/20 0.55
MEN1 O00255 1/20 0.55

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
SCHEMBL7535584 0.87 USP2 (0.68) KMT2ALMNAHPGDUSP2MEN1
SCHEMBL5525382 0.84 EGLN1 (0.60) NSD2MAPK8ATMEGLN1KMT2A
SCHEMBL31569526 0.83 NSD2 (0.66) NSD2MAPK8ATMEGLN1KMT2A
SCHEMBL8154709 0.83 KMT2A (0.80) NSD2MAPK8ATMEGLN1KMT2A
SCHEMBL13139170 0.83 ATM (0.67) NSD2MAPK8ATMEGLN1KMT2A
SCHEMBL6382378 0.83 HPGD (0.69) KMT2ALMNAHPGDL3MBTL1MEN1
SCHEMBL920392 0.83 NSD2 (0.66) NSD2MAPK8ATMEGLN1KMT2A
SCHEMBL12142857 0.83 NSD2 (0.66) NSD2MAPK8ATMEGLN1KMT2A
SCHEMBL922492 0.83 NSD2 (0.66) NSD2MAPK8ATMEGLN1KMT2A
SCHEMBL31680569 0.81 KMT2A (0.89) NSD2KMT2ALMNAGAAHPGD

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-20100016379-A1 Terephthalamate Compounds and Compositions, and Their Use as HIV Integrase Inhibitors IRM LLC (BM) 2010-01-21 US disclosed
US-20100016379-A1 Terephthalamate Compounds and Compositions, and Their Use as HIV Integrase Inhibitors IRM LLC (BM) 2010-01-21 US disclosed
US-20100016379-A1 Terephthalamate Compounds and Compositions, and Their Use as HIV Integrase Inhibitors IRM LLC (BM) 2010-01-21 US disclosed
WO-2008073138-A2 TEREPHTHALAMATE COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS HIV INTEGRASE INHIBITORS IRM LLC (BM) 2008-06-19 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-20100016379-A1 Terephthalamate Compounds and Compositions, and Their Use as HIV Integrase Inhibitors TYMP, TYMS, IMPDH1 NSD2 1648/4885MAPK8 2802/4885ATM 1343/4885

“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.