SCHEMBL85618

SCHEMBL85618

COCc1cc2cc(C)ccc2n1-c1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
KDM4E B2RXH2 4/20 0.41
GAA P10253 1/20 0.41
CYP19A1 P11511 6/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 4/20 0.34
HPGD P15428 3/20 0.34
MAPK1 P28482 2/20 0.34
PKM P14618 2/20 0.34
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
NPBWR1 P48145 1/20 0.34

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
SCHEMBL75757 0.84 CYP19A1 (0.42) MAPTKDM4ECYP19A1HTTHPGD
SCHEMBL3060769 0.70 POLB (0.53) MAPTKDM4EGAAPOLBMEN1
SCHEMBL85713 0.70 NPC1 (0.48) MAPTMEN1KMT2APKMSMN1; SMN2
SCHEMBL11839312 0.69 AOC3 (0.45) MAPTKDM4EGAAPOLBMEN1
SCHEMBL75868 0.68 NPC1 (0.49) CYP19A1MEN1KMT2APKMSMN1; SMN2
SCHEMBL17647214 0.65 MAPT (0.51) MAPTKDM4EGAAPOLBMEN1
SCHEMBL31329462 0.64 CYP19A1 (0.43) MAPTKDM4ECYP19A1KMT2AHPGD
SCHEMBL13425026 0.64 CYP2A6 (0.37) MAPTKDM4EGAACYP19A1POLB
SCHEMBL9267750 0.63 POLB (0.46) MAPTKDM4ECYP19A1POLBMEN1
SCHEMBL16314131 0.63 POLB (0.46) MAPTKDM4EGAAPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129424-B2 Indole derivatives as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders ATHERSYS, INC. (US) 2012-03-06 US disclosed
US-20110059966-A1 INDOLE DERIVATIVES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS BENNANI YOUSSEF L 2011-03-10 US 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 (1 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-20110059966-A1 INDOLE DERIVATIVES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS HRH3, HCRTR1, HCRTR2 MAPT 421/4885KDM4E 447/4885GAA 2759/4885

“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.