SCHEMBL2227003

SCHEMBL2227003

COc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 1.00
RAB9A P51151 9/20 1.00
CASP3 P42574 3/20 1.00
SENP7 Q9BQF6 3/20 1.00
NQO2 P16083 1/20 1.00
POLB P06746 3/20 0.71
KMT2A Q03164 5/20 0.69
MEN1 O00255 4/20 0.69
SENP8 Q96LD8 1/20 0.68
SENP6 Q9GZR1 1/20 0.68
MAPT P10636 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
ALDH1A1 P00352 3/20 0.67
HTT P42858 1/20 0.67
TP53 P04637 1/20 0.66

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
SCHEMBL19431244 0.86 NPC1 (0.76) NPC1RAB9ACASP3SENP7NQO2
SCHEMBL4141962 0.84 MEN1 (0.89) NPC1RAB9ACASP3SENP7NQO2
SCHEMBL11739871 0.83 RAB9A (0.71) NPC1RAB9ACASP3SENP7NQO2
SCHEMBL1353484 0.83 NPC1 (0.71) NPC1RAB9ACASP3SENP7NQO2
Hydrochloric Acid SCHEMBL9638131 0.82 MEN1 (0.86) NPC1RAB9ACASP3SENP7NQO2
SCHEMBL3503370 0.82 NPC1 (0.84) NPC1RAB9ACASP3SENP7NQO2
SCHEMBL4248720 0.82 RXFP1 (0.76) NPC1RAB9ACASP3SENP7NQO2
SCHEMBL3788361 0.81 NPC1 (1.00) NPC1RAB9ACASP3SENP7NQO2
SCHEMBL12218571 0.81 CASP3 (1.00) NPC1RAB9ACASP3SENP7NQO2
SCHEMBL5492048 0.81 RAB9A (0.75) NPC1RAB9ACASP3SENP7NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005759-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY 2013-01-03 US claimed
WO-2011091209-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY (US) 2011-07-28 WO claimed
US-20140213632-A1 HCV Combination Therapy STELLA APS (DK) 2014-07-31 US disclosed
US-20140127159-A1 HCV Combination Therapy STELLA APS (DK) 2014-05-08 US disclosed
US-20130005759-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY 2013-01-03 US disclosed
US-20130005759-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY 2013-01-03 US disclosed
WO-2011091209-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY (US) 2011-07-28 WO disclosed
WO-2011091209-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY (US) 2011-07-28 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 (3 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-20140127159-A1 HCV Combination Therapy HAVCR2, EIF2AK2, TIMP3 NPC1 682/4885RAB9A 3808/4885CASP3 401/4885
US-20140213632-A1 HCV Combination Therapy HAVCR2, EIF2AK2, ZC3HAV1 NPC1 711/4885RAB9A 3673/4885CASP3 2636/4885
US-20130005759-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 HAVCR2, CCAR2, EIF2AK2 NPC1 2842/4885RAB9A 2851/4885CASP3 43/4885

“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.