SCHEMBL4050326

SCHEMBL4050326

COc1ccc(NC(=O)c2ccc(CCl)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.76
RAB9A P51151 6/20 0.76
TP53 P04637 3/20 0.76
SMN1; SMN2 Q16637 3/20 0.76
ALOX15 P16050 1/20 0.76
ALDH1A1 P00352 3/20 0.67
CYP1A2 P05177 2/20 0.67
KDM4E B2RXH2 1/20 0.67
HIF1A Q16665 1/20 0.63
EPAS1 Q99814 1/20 0.63
PKM P14618 1/20 0.62
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
CYP3A4 P08684 1/20 0.60
GAA P10253 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
LMNA P02545 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60

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
SCHEMBL12440848 0.88 PGR (0.61) NPC1RAB9ATP53SMN1; SMN2ALOX15
SCHEMBL6799157 0.87 RAB9A (1.00) NPC1RAB9ATP53SMN1; SMN2ALOX15
SCHEMBL2021051 0.87 MEN1 (0.57) NPC1RAB9ATP53SMN1; SMN2ALOX15
SCHEMBL21674204 0.87 MEN1 (0.57) NPC1RAB9ATP53SMN1; SMN2ALOX15
SCHEMBL13952165 0.86 NPC1 (0.78) NPC1RAB9ATP53SMN1; SMN2ALOX15
SCHEMBL2894685 0.86 NPC1 (0.65) NPC1RAB9ATP53SMN1; SMN2ALOX15
SCHEMBL19234508 0.86 NPC1 (0.78) NPC1RAB9ATP53SMN1; SMN2ALOX15
SCHEMBL28246369 0.85 NPC1 (0.76) NPC1RAB9ATP53SMN1; SMN2ALOX15
SCHEMBL12514183 0.84 PGR (0.56) NPC1RAB9ATP53SMN1; SMN2ALOX15
SCHEMBL8867499 0.84 NPC1 (0.73) NPC1RAB9ATP53SMN1; SMN2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009111501-A1 DERIVATIVES OF IMIDAZO [4, 5-D] PYRIDAZINE AND THEIR USE AS ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-09-11 WO disclosed
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-09-10 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-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE MAVS, SARS1, HAVCR2 NPC1 240/4885RAB9A 1850/4885TP53 1235/4885

“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.