SCHEMBL3856320

SCHEMBL3856320

Clc1c2ccccc2nc2ccc(Br)cc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.67
MAOB P27338 1/20 0.67
RXFP1 Q9HBX9 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 1/20 0.50
NT5E P21589 1/20 0.47
ACHE P22303 4/20 0.45
HDAC3 O15379 1/20 0.45
APP P05067 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 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
SCHEMBL4163817 0.89 MAOA (0.67) MAOAMAOBRXFP1CYP1A2CYP2D6
SCHEMBL11780381 0.82 MAOA (0.75) MAOAMAOBCYP1A2CYP2D6HTT
SCHEMBL15124839 0.82 MAOA (0.82) MAOAMAOBCYP1A2HTTACHE
SCHEMBL455949 0.82 MAOA (1.00) MAOAMAOBHTTACHEKMT2A
SCHEMBL27889436 0.82 MAOA (1.00) MAOAMAOBHTTACHEKMT2A
Hydrochloric Acid SCHEMBL28400797 0.80 MAOA (0.95) MAOAMAOBHTTACHEKMT2A
SCHEMBL6527287 0.78 DHODH (0.44) MAOAMAOBRXFP1CYP1A2CYP2D6
SCHEMBL515743 0.78 HTT (0.50) MAOAMAOBRXFP1CYP1A2CYP2D6
SCHEMBL30981743 0.78 PRNP (0.47) MAOARXFP1CYP1A2CYP2D6CYP2C9
SCHEMBL13696895 0.78 ACHE (0.67) MAOACYP1A2HTTACHEHDAC3

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-9127164-B2 Fluorescent dyes and uses thereof ALMAC SCIENCES (SCOTLAND) LIMITED (GB) 2015-09-08 US disclosed
US-9127164-B2 Fluorescent dyes and uses thereof ALMAC SCIENCES (SCOTLAND) LIMITED (GB) 2015-09-08 US disclosed
EP-1940965-B1 NOVEL FLUORESCENT DYES AND USES THEREOF ALMAC SCIENCES SCOTLAND LTD (GB) 2014-03-26 EP disclosed
US-20090226940-A1 NOVEL FLUORESCENT DYES AND USES THEREOF ITI SCOTLAND LIMITED (GB) 2009-09-10 US disclosed
US-20090226940-A1 NOVEL FLUORESCENT DYES AND USES THEREOF ITI SCOTLAND LIMITED (GB) 2009-09-10 US disclosed
EP-1687275-A4 PYRIDIN-4-YLAMINE COMPOUNDS USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN MERCK & CO INC (US) 2009-01-14 EP disclosed
US-20070099950-A1 Pyridin-4-ylamine compounds useful in the treatment of neuropathic pain AGT SCIENCE LIMITED (GB) 2007-05-03 US disclosed
WO-2007049057-A2 NOVEL FLUORESCENT DYES AND USES THEREOF ITI SCOTLAND LIMITED (GB) 2007-05-03 WO disclosed
CN-1882546-A Pyridin-4-ylamine compounds useful in the treatment of neuropathic pain MERCK & CO INC (US) 2006-12-20 CN disclosed
EP-1687275-A1 PYRIDIN-4-YLAMINE COMPOUNDS USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN Merck & Co., Inc. (US) 2006-08-09 EP disclosed
WO-2005051915-A1 PYRIDIN-4-YLAMINE COMPOUNDS USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN MERCK & CO., INC. (US) 2005-06-09 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-20090226940-A1 NOVEL FLUORESCENT DYES AND USES THEREOF ACR, ANXA5, GLB1 MAOA 1446/4885MAOB 1128/4885RXFP1 4783/4885
US-20070099950-A1 Pyridin-4-ylamine compounds useful in the treatment of neuropathic pain PER2, CNR2, OPRD1 MAOA 2116/4885MAOB 1852/4885RXFP1 2132/4885

“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.