SCHEMBL2593300

SCHEMBL2593300

CC(C)n1cc(Cl)c2c(C(=O)O)cc(Br)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
KMT2A Q03164 1/20 0.39
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
AKR1C1 Q04828 2/20 0.36
AKR1C4 P17516 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 2/20 0.34
ACLY P53396 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
MYC P01106 1/20 0.33
NR4A1 P22736 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL17970567 0.85 ALDH1A1 (0.34) MEN1NPC1POLBGAARAB9A
SCHEMBL2586195 0.85 HPGD (0.36) MEN1NPC1POLBGAARAB9A
SCHEMBL2594981 0.84 MYC (0.37) MEN1NPC1POLBGAARAB9A
SCHEMBL2587254 0.83 AKR1C3 (0.36) MEN1NPC1POLBGAARAB9A
SCHEMBL26613847 0.82 KMT2A (0.40) MEN1NPC1POLBGAARAB9A
SCHEMBL30633757 0.82 KMT2A (0.40) MEN1NPC1POLBGAARAB9A
SCHEMBL35211202 0.77 MAP2K1 (0.35) MEN1NPC1POLBGAARAB9A
SCHEMBL17065785 0.77 PPARA (0.34) MEN1NPC1POLBGAARAB9A
SCHEMBL12180222 0.72 NOTUM (0.38) MEN1NPC1POLBGAARAB9A
SCHEMBL1622103 0.72 MYC (0.42) MEN1NPC1POLBGAARAB9A

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246027-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2017-11-22 EP disclosed
EP-3246027-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2017-11-22 EP disclosed
US-9649307-B2 Indoles GLAXOSMITHKLINE LLC (US) 2017-05-16 US disclosed
US-9649307-B2 Indoles GLAXOSMITHKLINE LLC (US) 2017-05-16 US disclosed
US-9649307-B2 Indoles GLAXOSMITHKLINE LLC (US) 2017-05-16 US disclosed
US-20160296518-A1 INDOLES GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
US-20160296518-A1 INDOLES GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
US-20160296518-A1 INDOLES GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
US-9446041-B2 Method of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-09-20 US disclosed
US-9446041-B2 Method of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-09-20 US disclosed
US-8536179-B2 Indoles GLAXOSMITHKLINE LLC (US) 2013-09-17 US disclosed
US-8536179-B2 Indoles GLAXOSMITHKLINE LLC (US) 2013-09-17 US disclosed
WO-2013067296-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (No 2) LIMITED (GB) 2013-05-10 WO disclosed
EP-2566327-A1 INDOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
CN-102970869-A Indoles GLAXOSMITHKLINE LLC 2013-03-13 CN disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO disclosed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 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 (2 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-20130053397-A1 INDOLES IDO1, IDO2, INMT MEN1 795/4885NPC1 1647/4885POLB 2222/4885
US-20160296518-A1 INDOLES IDO1, IDO2, INMT MEN1 783/4885NPC1 1581/4885POLB 2211/4885

“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.