SCHEMBL2230642

SCHEMBL2230642

CC(=O)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.77
RAB9A P51151 11/20 0.77
KMT2A Q03164 9/20 0.73
MEN1 O00255 8/20 0.73
TDP1 Q9NUW8 1/20 0.72
ALDH1A1 P00352 3/20 0.66
MAPT P10636 1/20 0.66
POLB P06746 1/20 0.66
CASP3 P42574 4/20 0.64
SENP7 Q9BQF6 4/20 0.64
SENP6 Q9GZR1 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
SENP8 Q96LD8 1/20 0.64
NQO2 P16083 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.61
LMNA P02545 1/20 0.61
GAA P10253 1/20 0.61
DEGS1 O15121 1/20 0.60
KDM4E B2RXH2 1/20 0.60
EGFR P00533 1/20 0.59

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
SCHEMBL15711275 0.95 NPC1 (0.70) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL3503370 0.92 NPC1 (0.84) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL4330052 0.90 RAB9A (0.78) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL14470417 0.87 RAB9A (0.73) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL26885202 0.87 NPC1 (0.77) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL2229842 0.86 NPC1 (0.76) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL26885264 0.86 RAB9A (0.72) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL8081011 0.85 DEGS1 (0.82) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL3660083 0.85 NPC1 (0.74) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL7964170 0.84 RAB9A (0.73) NPC1RAB9AKMT2AMEN1TDP1

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 3808/4885KMT2A 1856/4885
US-20140213632-A1 HCV Combination Therapy HAVCR2, EIF2AK2, ZC3HAV1 NPC1 711/4885RAB9A 3673/4885KMT2A 2565/4885
US-20130005759-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 HAVCR2, CCAR2, EIF2AK2 NPC1 2842/4885RAB9A 2851/4885KMT2A 2910/4885

“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.