SCHEMBL9100085

SCHEMBL9100085

CCCCCSc1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.51
MAOA P21397 2/20 0.47
MAOB P27338 1/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
SLC2A1 P11166 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
KCNH2 Q12809 1/20 0.41
LMNA P02545 2/20 0.41
PLK1 P53350 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39

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
SCHEMBL9361405 0.98 TP53 (0.50) MAPTTP53MAOAMAOBTHRA
SCHEMBL10528156 0.98 TP53 (0.50) MAPTTP53MAOAMAOBTHRA
SCHEMBL7928406 0.98 TP53 (0.50) MAPTTP53MAOAMAOBTHRA
SCHEMBL3842009 0.98 TP53 (0.50) MAPTTP53MAOAMAOBTHRA
SCHEMBL9096083 0.98 TP53 (0.50) MAPTTP53MAOAMAOBTHRA
SCHEMBL3369604 0.94 MAOA (0.53) MAPTTP53MAOAMAOBTHRA
SCHEMBL10595686 0.89 SMN1; SMN2 (0.48) MAPTTP53MAOAMAOBSLC2A1
SCHEMBL21575599 0.87 THRB (0.56) MAOAMAOBTHRATHRBSLC2A1
SCHEMBL21575598 0.87 THRB (0.56) MAOAMAOBTHRATHRBSLC2A1
SCHEMBL11569857 0.87 THRB (0.56) MAOAMAOBTHRATHRBSLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4371982-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX Pharmaceuticals, Inc. (US) 2024-05-22 EP disclosed
EP-3583096-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-03-27 EP disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
CN-114634432-B High-efficiency synthesis method of alkyl aryl thioether compound 润药仁智(北京)科技有限公司 2023-03-14 CN disclosed
CN-110520413-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2023-02-17 CN disclosed
US-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-07-01 US disclosed
US-5498366-A ELECTROOPTICAL DEVICES THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1996-03-12 US disclosed
US-5352381-A High birefringence THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1994-10-04 US disclosed
EP-0486646-A1 LIQUID CRYSTAL THIOL COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN (GB) 1992-05-27 EP disclosed
WO-1991019695-A2 LIQUID CRYSTAL THIOL COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1991-12-26 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-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC MAPT 4006/4885TP53 3354/4885MAOA 2913/4885
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC MAPT 4006/4885TP53 3354/4885MAOA 2913/4885

“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.