SCHEMBL2273602

SCHEMBL2273602

O=C(O)c1cccc(Cc2ccc3ccn(Cc4cccc(C(=O)O)c4)c3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.49
PLAU P00749 1/20 0.49
HTT P42858 1/20 0.49
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HIF1A Q16665 1/20 0.48
NR1H4 Q96RI1 2/20 0.47
EPHX2 P34913 1/20 0.47
KMT2A Q03164 1/20 0.47
CCR2 P41597 1/20 0.46
PLA2G10 O15496 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
BCL2 P10415 1/20 0.45
MCL1 Q07820 1/20 0.45
FOLH1 Q04609 1/20 0.45
BACE1 P56817 1/20 0.45
YTHDC1 Q96MU7 1/20 0.44
HDAC8 Q9BY41 2/20 0.44

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
SCHEMBL2275593 0.91 PLAU (0.57) PLGPLAUHTTCYP2D6CYP2C9
SCHEMBL2277407 0.88 HDAC8 (0.61) NR1H4BCL2MCL1HDAC8HDAC1
SCHEMBL6193094 0.86 PLA2G10 (0.57) PLGPLAUHTTCYP2D6CYP2C9
SCHEMBL6179658 0.83 HDAC1 (0.55) PLAUNR1H4EPHX2KMT2AMCL1
SCHEMBL2273614 0.83 HTR6 (0.50) PLGPLAUHTTCYP2D6CYP2C9
SCHEMBL12403338 0.82 CA1 (0.47) HTTCYP2D6CYP2C9HIF1AKMT2A
SCHEMBL13802475 0.82 PTGER4 (0.53) NR1H4EPHX2CCR2MCL1BACE1
SCHEMBL2275953 0.81 HDAC8 (0.59) NR1H4BCL2MCL1HDAC8HTR6
SCHEMBL2277153 0.80 F2 (0.51) HTTCYP2D6CYP2C9HIF1AKMT2A
SCHEMBL2275910 0.79 PTGER4 (0.52) HDAC8HTR6HDAC1HDAC2HDAC10

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-8455516-B2 HIV-1 fusion inhibitors and methods TOURO UNIVERSITY (US) 2013-06-04 US claimed
US-20110190343-A1 HIV-1 FUSION INHIBITORS AND METHODS TOURO UNIVERSITY (US) 2011-08-04 US claimed
US-8455516-B2 HIV-1 fusion inhibitors and methods TOURO UNIVERSITY (US) 2013-06-04 US disclosed
US-20110190343-A1 HIV-1 FUSION INHIBITORS AND METHODS TOURO UNIVERSITY (US) 2011-08-04 US 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-20110190343-A1 HIV-1 FUSION INHIBITORS AND METHODS FLI1, API5, MAVS PLG 2799/4885PLAU 4157/4885HTT 3683/4885

“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.