SCHEMBL428750

SCHEMBL428750

COc1cc(-c2noc(C)n2)ccc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.54
S1PR1 P21453 7/20 0.53
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
KDM4E B2RXH2 4/20 0.53
TSHR P16473 3/20 0.53
RAB9A P51151 3/20 0.53
HSD17B10 Q99714 3/20 0.53
MAPT P10636 4/20 0.52
PPARG P37231 1/20 0.52
NCOA2 Q15596 1/20 0.52
NCOA1 Q15788 1/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
THRB P10828 2/20 0.50
S1PR3 Q99500 1/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL30509199 1.00 HTT (0.57) HTTL3MBTL1S1PR1NPC1SMN1; SMN2
SCHEMBL14363621 0.87 HTT (0.68) HTTL3MBTL1NPC1SMN1; SMN2KDM4E
SCHEMBL29384637 0.85 S1PR1 (0.50) HTTL3MBTL1S1PR1NPC1SMN1; SMN2
SCHEMBL8045416 0.84 S1PR1 (0.68) HTTL3MBTL1S1PR1MAPTS1PR3
SCHEMBL12266913 0.81 L3MBTL1 (0.57) HTTL3MBTL1S1PR1NPC1SMN1; SMN2
SCHEMBL18952391 0.81 HTT (0.50) HTTL3MBTL1S1PR1NPC1SMN1; SMN2
SCHEMBL5117600 0.81 L3MBTL1 (0.61) HTTL3MBTL1S1PR1NPC1SMN1; SMN2
SCHEMBL20116544 0.79 SMN1; SMN2 (0.73) HTTS1PR1NPC1SMN1; SMN2KDM4E
SCHEMBL16088921 0.79 NPC1 (0.50) HTTS1PR1NPC1SMN1; SMN2KDM4E
SCHEMBL14363618 0.79 THRB (0.56) HTTL3MBTL1S1PR1NPC1SMN1; SMN2

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
US-20260138974-A1 POTENT AND SELECTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS LEUKOS BIOTECH S L (ES) 2026-05-21 US disclosed
US-12540133-B2 Potent and selective compounds as serotonin 1B receptor modulators LEUKOS BIOTECH, S.L. (ES) 2026-02-03 US disclosed
EP-4445901-A2 NEW POTENT AND SELECTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS Leukos Biotech, S.L. (ES) 2024-10-16 EP disclosed
EP-4225753-B1 POTENT AND SELECTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS LEUKOS BIOTECH S L (ES) 2024-07-31 EP disclosed
US-20240166639-A1 POTENT AND SELECTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS LEUKOS BIOTECH, S.L. (ES) 2024-05-23 US disclosed
EP-4225753-A1 POTENT AND SELCTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS Leukos Biotech, S.L. (ES) 2023-08-16 EP disclosed
WO-2022074103-A1 POTENT AND SELCTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS LEUKOS BIOTECH, S.L. (ES) 2022-04-14 WO disclosed
US-8575150-B2 Triazole derivatives for treatment of Alzheimer's disease MERCK SHARP & DOHME CORP. (US) 2013-11-05 US disclosed
US-20120022044-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2012-01-26 US disclosed
EP-2378879-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Corp. (US) 2011-10-26 EP disclosed
WO-2010071741-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. (US) 2010-06-24 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 (4 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-20260138974-A1 POTENT AND SELECTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS HTR3B, HTR1B, HTR1A HTT 1281/4885L3MBTL1 855/4885S1PR1 773/4885
US-12540133-B2 Potent and selective compounds as serotonin 1B receptor modulators HTR3B, HTR1A, HTR1B HTT 2214/4885L3MBTL1 1086/4885S1PR1 562/4885
US-20240166639-A1 POTENT AND SELECTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS HTR1B, HTR1A, HTR3B HTT 671/4885L3MBTL1 2699/4885S1PR1 323/4885
US-20120022044-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MAPT, BACE1, APP HTT 8/4885L3MBTL1 4624/4885S1PR1 1470/4885

“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.