SCHEMBL16147385

SCHEMBL16147385

COc1ccc(NC(=O)c2cc(C(C)(C)C)ccc2O)c(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
MAPT P10636 3/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
ALDH1A1 P00352 4/20 0.57
LMNA P02545 1/20 0.56
AHR P35869 1/20 0.56
CYP1A1 P04798 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP1B1 Q16678 1/20 0.55
LPAR1 Q92633 1/20 0.52
P2RX1 P51575 1/20 0.52
TMPRSS4 Q9NRS4 1/20 0.52
KDM4E B2RXH2 3/20 0.51
HPGD P15428 1/20 0.51
NR1I2 O75469 1/20 0.51
POLB P06746 1/20 0.50

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
SCHEMBL16147616 0.86 NR1H4 (0.58) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL16148216 0.86 MAPT (0.53) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL7302105 0.83 SMN1; SMN2 (0.75) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL11761664 0.83 KCNMA1 (0.73) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL13812835 0.82 MAPT (0.70) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL11761696 0.82 PLG (0.67) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL11337337 0.79 MEN1 (0.76) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL330440 0.78 HTT (0.56) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL17515743 0.78 MAPT (0.63) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL330019 0.77 KCNMA1 (0.64) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180370905-A1 Compounds Useful for the Treatment of Metabolic Disorders and Synthesis of the Same NORTH CAROLINA CENTRAL UNIV (US) 2018-12-27 US disclosed
US-10005720-B2 Compounds useful for the treatment of metabolic disorders and synthesis of the same NORTH CAROLINA CENTRAL UNIVERSITY (US) 2018-06-26 US disclosed
US-10005720-B2 Compounds useful for the treatment of metabolic disorders and synthesis of the same NORTH CAROLINA CENTRAL UNIVERSITY (US) 2018-06-26 US disclosed
US-20160046560-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME NORTH CAROLINA CENTRAL UNIVERSITY 2016-02-18 US disclosed
US-20160046560-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME NORTH CAROLINA CENTRAL UNIVERSITY 2016-02-18 US disclosed
WO-2014165816-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME NORTH CAROLINA CENTRAL UNIVERSITY (US) 2014-10-09 WO disclosed
WO-2014165816-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME NORTH CAROLINA CENTRAL UNIVERSITY (US) 2014-10-09 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-10005720-B2 Compounds useful for the treatment of metabolic disorders and synthesis of the same GLS2, PC, GLS MEN1 1171/4885KMT2A 1812/4885MAPT 2394/4885
US-20180370905-A1 Compounds Useful for the Treatment of Metabolic Disorders and Synthesis of the Same GLS2, PC, GLS MEN1 1171/4885KMT2A 1812/4885MAPT 2394/4885
US-20160046560-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME GLS2, PC, GLS MEN1 1171/4885KMT2A 1812/4885MAPT 2394/4885

“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.