SCHEMBL12722346

SCHEMBL12722346

Fc1cc(F)cc(-c2cn(-c3cc(Cl)ccc3Cl)nn2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.52
▸ BCHE P06276 1/20 0.49
▸ P2RX7 Q99572 1/20 0.43
▸ FLT3 P36888 3/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ STS P08842 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.37
▸ PTGS2 P35354 2/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ LGALS3 P17931 4/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36

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
SCHEMBL12722348 0.75 SIGMAR1 (0.44) BCHEFLT3STSPTGS2PTGS1
SCHEMBL23451545 0.69 NOTUM (1.00) NOTUMP2RX7
SCHEMBL28033311 0.68 NOTUM (0.58) NOTUMP2RX7HDAC8TRPV1
Hydrochloric Acid SCHEMBL23451555 0.68 NOTUM (0.71) NOTUMP2RX7TRPV1MAOAMAOB
SCHEMBL29370675 0.67 RXRA (0.41) FLT3GSK3BPTGS2PTGS1CYP1B1
SCHEMBL1180335 0.67 RXRA (0.41) FLT3GSK3BPTGS2PTGS1CYP1B1
SCHEMBL28326470 0.67 BCHE (0.57) NOTUMBCHEFLT3GSK3BPTGS2
SCHEMBL28046686 0.66 BCHE (1.00) NOTUMBCHEFLT3GSK3BPTGS2
SCHEMBL16983157 0.66 BCHE (0.60) BCHEFLT3GSK3BPTGS2PTGS1
SCHEMBL27792726 0.65 PTGS2 (0.44) BCHEFLT3GSK3BSTSPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247558-B2 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION LILLY CO ELI (US) 2024-07-03 — — EP disclosed
EP-2247558-B1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION LILLY CO ELI (US) 2022-02-02 — — EP disclosed
EP-2599763-A1 Novel imaging agents for detecting neurological dysfunction Siemens Molecular Imaging, Inc. (US) 2013-06-05 — — EP disclosed
US-8318132-B2 Imaging agents for detecting neurological dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-11-27 — — US disclosed
US-8318132-B2 Imaging agents for detecting neurological dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-11-27 — — US disclosed
US-20110091382-A1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION SIEMENS MEDICAL SOLUTION USA, INC. 2011-04-21 — — US disclosed
US-20110091382-A1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION SIEMENS MEDICAL SOLUTION USA, INC. 2011-04-21 — — US disclosed
US-20110046378-A1 Novel Imaging Agents for Detecting Neurological Dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-02-24 — — US disclosed
US-20110046378-A1 Novel Imaging Agents for Detecting Neurological Dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-02-24 — — US 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-20110091382-A1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION FABP7, TSPO, SLC18A3 NOTUM 2443/4885BCHE 25/4885P2RX7 1660/4885
US-20110046378-A1 Novel Imaging Agents for Detecting Neurological Dysfunction FABP7, SLC18A3, TSPO NOTUM 2493/4885BCHE 25/4885P2RX7 1726/4885

“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.

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