SCHEMBL16147635

SCHEMBL16147635

Cc1nc(-c2ccc(NC(=O)c3cc(Cl)ccc3O)c(Cl)c2)no1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.51
NPC1 O15118 3/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 3/20 0.51
HTT P42858 3/20 0.51
RAB9A P51151 3/20 0.51
KDR P35968 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
AURKA O14965 1/20 0.51
PDPK1 O15530 1/20 0.51
JAK2 O60674 1/20 0.51
GMNN O75496 1/20 0.51
ALDH1A1 P00352 1/20 0.51
EGFR P00533 1/20 0.51
CYP1A2 P05177 1/20 0.51
LYN P07948 1/20 0.51
CHRM2 P08172 1/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL16147904 0.88 TP53 (0.44) TP53NPC1LMNAMAPTHTT
SCHEMBL30771727 0.77 KCNMA1 (0.76) TP53NPC1LMNAMAPTHTT
SCHEMBL15026045 0.77 KCNMA1 (0.76) TP53NPC1LMNAMAPTHTT
SCHEMBL10138038 0.76 KCNMA1 (0.69) TP53NPC1LMNAMAPTHTT
SCHEMBL28454139 0.74 KCNMA1 (0.69) TP53NPC1LMNAMAPTHTT
SCHEMBL29518182 0.73 TP53 (0.74) TP53LMNAMAPTALDH1A1TDP1
SCHEMBL23847723 0.73 KCNMA1 (0.61) TP53NPC1LMNAMAPTHTT
SCHEMBL16148208 0.73 KCNMA1 (0.64) TP53NPC1LMNAMAPTHTT
SCHEMBL2394473 0.73 LMNA (0.50) TP53NPC1LMNAMAPTHTT
SCHEMBL18341256 0.73 TMPRSS4 (0.59) TP53NPC1LMNAMAPTHTT

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-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-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
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

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 TP53 4170/4885NPC1 906/4885LMNA 3068/4885
US-20180370905-A1 Compounds Useful for the Treatment of Metabolic Disorders and Synthesis of the Same GLS2, PC, GLS TP53 4170/4885NPC1 906/4885LMNA 3068/4885
US-20160046560-A1 COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME GLS2, PC, GLS TP53 4170/4885NPC1 906/4885LMNA 3068/4885

“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.