SCHEMBL484108

SCHEMBL484108

FCCOc1ccc2cc(-c3nc4ccccc4[nH]3)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.57
CYP1B1 Q16678 1/20 0.56
HDAC3 O15379 12/20 0.55
HDAC4 P56524 12/20 0.55
HDAC1 Q13547 12/20 0.55
HDAC7 Q8WUI4 12/20 0.55
HDAC2 Q92769 12/20 0.55
HDAC10 Q969S8 12/20 0.55
HDAC11 Q96DB2 12/20 0.55
HDAC8 Q9BY41 12/20 0.55
HDAC6 Q9UBN7 12/20 0.55
HDAC9 Q9UKV0 12/20 0.55
HDAC5 Q9UQL6 12/20 0.55
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54
CHRNA7 P36544 1/20 0.54
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
PKM P14618 1/20 0.53

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
SCHEMBL484162 0.82 CHEK2 (0.57) ACHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL28117058 0.82 NPC1 (0.69) HDAC6KDM4ENPC1ALDH1A1PKM
SCHEMBL465443 0.79 ACHE (0.75) ACHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL465492 0.79 ACHE (0.75) ACHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL784354 0.79 NPC1 (0.65) HDAC6KDM4ENPC1ALDH1A1PKM
SCHEMBL30693675 0.79 NPC1 (0.65) HDAC6KDM4ENPC1ALDH1A1PKM
SCHEMBL465463 0.78 HDAC3 (0.73) ACHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL465560 0.78 HDAC3 (0.73) ACHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL465440 0.78 HDAC3 (0.73) ACHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL465475 0.77 HDAC6 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411057-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2020-05-06 EP disclosed
EP-2411057-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2020-05-06 EP disclosed
EP-2550255-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2016-04-27 EP disclosed
EP-2550255-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2016-04-27 EP disclosed
US-20130302248-A1 Imaging Agents for Detecting Neurological Disorders LILLY CO ELI (US) 2013-11-14 US disclosed
US-20130302248-A1 Imaging Agents for Detecting Neurological Disorders LILLY CO ELI (US) 2013-11-14 US disclosed
US-8491869-B2 Imaging agents for detecting neurological disorders ELI LILLY AND COMPANY (US) 2013-07-23 US disclosed
US-8491869-B2 Imaging agents for detecting neurological disorders ELI LILLY AND COMPANY (US) 2013-07-23 US disclosed
EP-2411057-A2 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS Siemens Medical Solutions USA, Inc. (US) 2012-02-01 EP disclosed
WO-2011119565-A1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-09-29 WO disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 US disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 US disclosed
WO-2010111303-A2 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-30 WO disclosed
WO-2010111303-A2 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-30 WO disclosed
US-20100239496-A1 Imaging agents for detecting neurological disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-23 US disclosed
US-20100239496-A1 Imaging agents for detecting neurological disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-23 US disclosed
US-20100239496-A1 Imaging agents for detecting neurological disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-23 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 (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-20130302248-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 ACHE 130/4885CYP1B1 2633/4885HDAC3 4660/4885
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 ACHE 115/4885CYP1B1 3811/4885HDAC3 4651/4885
US-20100239496-A1 Imaging agents for detecting neurological disorders MAPT, APP, PSEN1 ACHE 130/4885CYP1B1 2633/4885HDAC3 4660/4885

“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.