SCHEMBL1584529

SCHEMBL1584529

Nc1ccc(Br)cc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.54
MAOB P27338 1/20 0.53
CCR5 P51681 5/20 0.50
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 2/20 0.49
USP28 Q96RU2 1/20 0.49
USP25 Q9UHP3 1/20 0.49
HTT P42858 3/20 0.48
KDM1A O60341 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
APP P05067 1/20 0.47
LTA4H P09960 1/20 0.47
MAPK14 Q16539 1/20 0.47
F9 P00740 1/20 0.46
F10 P00742 1/20 0.46
PTGER1 P34995 1/20 0.45

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
SCHEMBL3713861 0.86 CCR5 (0.54) SLC6A4MAOBCCR5RAB9AALDH1A1
SCHEMBL368071 0.84 SLC6A4 (0.66) SLC6A4MAOBCCR5RAB9AALDH1A1
SCHEMBL31644088 0.84 SLC6A4 (0.66) SLC6A4MAOBCCR5RAB9AALDH1A1
SCHEMBL24133495 0.83 MAOB (0.54) MAOBCCR5RAB9AHTTSMN1; SMN2
SCHEMBL30026191 0.83 MAOB (0.50) SLC6A4MAOBCCR5RAB9AALDH1A1
SCHEMBL22412158 0.83 MAOB (0.50) SLC6A4MAOBCCR5RAB9AALDH1A1
SCHEMBL30461784 0.83 MAOB (0.50) SLC6A4MAOBCCR5RAB9AALDH1A1
SCHEMBL22412255 0.83 MAOB (0.50) SLC6A4MAOBCCR5RAB9AALDH1A1
SCHEMBL8298067 0.82 MAOB (0.56) MAOBRAB9ASMN1; SMN2APPLTA4H
SCHEMBL4434864 0.82 SLC6A4 (0.56) SLC6A4MAOBCCR5RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3573972-B1 RORGAMMA MODULATORS AND USES THEREOF GENFIT (FR) 2026-01-14 EP disclosed
CN-116947678-A Nitrogen-atom-disubstituted aromatic ring micromolecular organic compound, derivatives thereof and application of nitrogen-atom-disubstituted aromatic ring micromolecular organic compound in preparation of antibacterial drugs 河南大学 2023-10-27 CN disclosed
US-11077115-B2 Rorgamma modulators and uses thereof GENFIT (FR) 2021-08-03 US disclosed
US-11077115-B2 Rorgamma modulators and uses thereof GENFIT (FR) 2021-08-03 US disclosed
WO-2018138359-A1 RORGAMMA MODULATORS AND USES THEREOF GENFIT (FR) 2018-08-02 WO disclosed
US-8575186-B2 Epiminocycloalkyl[b] indole derivatives as serotonin sub-type 6 (5-HT6) modulators and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2013-11-05 US disclosed
US-20110112122-A1 EPIMINOCYCLOALKYL[b] INDOLE DERIVATIVES AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-05-12 US disclosed
WO-2011044134-A1 EPIMINOCYCLOALKYL(B)INDOLE DERIVATIVES AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-04-14 WO disclosed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US disclosed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 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-20110112122-A1 EPIMINOCYCLOALKYL[b] INDOLE DERIVATIVES AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS AND USES THEREOF HTR6, HTR3B, HTR1B SLC6A4 21/4885MAOB 27/4885CCR5 848/4885
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL SLC6A4 1611/4885MAOB 402/4885CCR5 889/4885
US-11077115-B2 Rorgamma modulators and uses thereof RORB, RORC, RORA SLC6A4 4855/4885MAOB 4088/4885CCR5 268/4885

“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.