SCHEMBL18154523

SCHEMBL18154523

COc1ccc(COc2cc[n+]([O-])cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.61
MAOB P27338 1/20 0.59
NPC1 O15118 1/20 0.54
POLB P06746 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
FFAR1 O14842 1/20 0.51
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
PLA2G4B P0C869 1/20 0.48
MEN1 O00255 1/20 0.47
BCHE P06276 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL20000873 0.84 APP (0.80) APPMAOBNPC1POLBRAB9A
SCHEMBL13977985 0.81 APP (0.69) APPMAOBNPC1POLBRAB9A
SCHEMBL13952163 0.81 APP (0.69) APPMAOBNPC1POLBRAB9A
SCHEMBL503712 0.80
SCHEMBL2877136 0.80 MAOB (0.58) APPMAOBNPC1RAB9AIDO1
SCHEMBL13980873 0.80 MAOB (0.51) APPMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL10104014 0.80 MAOB (0.58) APPMAOBNPC1RAB9A
SCHEMBL557817 0.79 LMNA (0.57) APPMAOBRAB9ASMN1; SMN2MAPT
SCHEMBL17810160 0.78 MMP1 (0.49) APPMAOB
Water SCHEMBL15952817 0.78 CA1 (0.50) NPC1RAB9AALDH1A1MAPTIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3286193-B1 INDOLE DERIVATIVES RICHTER GEDEON NYRT (HU) 2020-05-27 EP disclosed
US-10329296-B2 Indole derivatives RICHTER GEDEON NYRT. (HU) 2019-06-25 US disclosed
US-20180093989-A1 INDOLE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2018-04-05 US disclosed
EP-3286193-A1 INDOLE DERIVATIVES Richter Gedeon Nyrt. (HU) 2018-02-28 EP disclosed
WO-2016166684-A1 INDOLE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2016-10-20 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-10329296-B2 Indole derivatives TPH1, MCHR1, MC1R APP 2639/4885MAOB 67/4885NPC1 472/4885
US-20180093989-A1 INDOLE DERIVATIVES MC1R, MCHR1, TPH1 APP 2865/4885MAOB 72/4885NPC1 486/4885

“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.