SCHEMBL3550155

SCHEMBL3550155

O=C(O)NN=Cc1ccc(-c2ccccn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.65
HDAC1 Q13547 1/20 0.65
HDAC2 Q92769 1/20 0.65
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 1/20 0.51
RAB9A P51151 8/20 0.50
NPC1 O15118 7/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
SIRT1 Q96EB6 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 3/20 0.48
GAA P10253 3/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 1/20 0.48
GFER P55789 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48

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
SCHEMBL3550150 1.00 HDAC3 (0.65) HDAC3HDAC1HDAC2CYP1A2CYP2C19
SCHEMBL27076797 1.00 HDAC3 (0.65) HDAC3HDAC1HDAC2CYP1A2CYP2C19
SCHEMBL5719623 0.95 HDAC3 (0.60) HDAC3HDAC1HDAC2CYP1A2CYP2C19
SCHEMBL5719617 0.95 HDAC3 (0.60) HDAC3HDAC1HDAC2CYP1A2CYP2C19
SCHEMBL7919338 0.85 LMNA (0.63) HDAC3HDAC1HDAC2RAB9ANPC1
SCHEMBL8231883 0.81 MIF (0.68) HDAC3HDAC1HDAC2CYP1A2CYP2C19
SCHEMBL3551181 0.81 HDAC3 (0.52) HDAC3HDAC1HDAC2CYP1A2CYP2C19
SCHEMBL3551184 0.81 HDAC3 (0.52) HDAC3HDAC1HDAC2CYP1A2CYP2C19
SCHEMBL13916291 0.81 MIF (0.61) HDAC3HDAC1HDAC2RAB9ANPC1
SCHEMBL7052868 0.81 MIF (0.61) HDAC3HDAC1HDAC2RAB9ANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697348-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-12-28 EP disclosed
US-7696226-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2010-04-13 US disclosed
US-20050159469-A1 HIV protease inhibiting compounds ABBVIE INC. 2005-07-21 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-20050159469-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP HDAC3 1637/4885HDAC1 552/4885HDAC2 1851/4885

“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.