SCHEMBL1065119

SCHEMBL1065119

COc1ccc(C(=O)Nc2ccc(I)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.83
NPC1 O15118 10/20 0.83
SMN1; SMN2 Q16637 6/20 0.83
TP53 P04637 4/20 0.83
ALOX15 P16050 1/20 0.83
ALDH1A1 P00352 5/20 0.68
CYP1A2 P05177 2/20 0.68
KDM4E B2RXH2 1/20 0.68
TRPV1 Q8NER1 1/20 0.66
KMT2A Q03164 5/20 0.66
MEN1 O00255 2/20 0.66
GAA P10253 2/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
F10 P00742 1/20 0.63
CASP3 P42574 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
LMNA P02545 2/20 0.61

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
SCHEMBL6799157 0.91 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL6361263 0.86 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL22192206 0.86 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8769709 0.86 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8770881 0.86 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL30341896 0.86 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL6515702 0.86 TRPV1 (0.69) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL3674376 0.86 TRPV1 (0.76) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL5399964 0.85 RAB9A (0.86) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL330082 0.85 NPC1 (1.00) RAB9ANPC1SMN1; SMN2TP53ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024050825-A1 COMPOUNDS AS MLKL INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2024-03-14 WO disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-20060058298-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2006-03-16 US disclosed
US-20050288282-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2005-12-29 US disclosed
EP-1590340-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2005-11-02 EP disclosed
US-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 US disclosed
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 WO disclosed
US-20040142953-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2004-07-22 US disclosed
US-20040106599-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2004-06-03 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 (4 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-20050288282-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 RAB9A 2909/4885NPC1 1197/4885SMN1; SMN2 3671/4885
US-20040106599-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 RAB9A 2909/4885NPC1 1197/4885SMN1; SMN2 3671/4885
US-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 RAB9A 2909/4885NPC1 1197/4885SMN1; SMN2 3671/4885
US-20040142953-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 RAB9A 2909/4885NPC1 1197/4885SMN1; SMN2 3671/4885

“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.