SCHEMBL484407

SCHEMBL484407

Nc1ccc(C#Cc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
HSD17B10 Q99714 5/20 0.53
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
HPGD P15428 4/20 0.53
KDM4E B2RXH2 4/20 0.53
TP53 P04637 3/20 0.53
GFER P55789 2/20 0.53
POLB P06746 1/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MASP2 O00187 1/20 0.49
NUDT1 P36639 1/20 0.49
AOC3 Q16853 1/20 0.49
PIK3CA P42336 1/20 0.48
MTOR P42345 1/20 0.48
PDK1 Q15118 1/20 0.48
APP P05067 2/20 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
SCHEMBL6209371 0.86 TRPV1 (0.51) ALDH1A1SMN1; SMN2HSD17B10NPC1RAB9A
SCHEMBL12403302 0.84 RAB9A (0.49) ALDH1A1MAPTSMN1; SMN2HSD17B10NPC1
SCHEMBL21974450 0.82 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2HSD17B10NPC1
SCHEMBL484268 0.80 SNCA (0.54) ALDH1A1MAPTSMN1; SMN2HSD17B10NPC1
SCHEMBL484346 0.74 BCHE (0.42) ALDH1A1MAPTSMN1; SMN2HSD17B10NPC1
SCHEMBL2457129 0.73 ATP4A (0.42) ALDH1A1MAPTSMN1; SMN2HSD17B10NPC1
SCHEMBL11395253 0.70 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2HSD17B10NPC1
SCHEMBL718646 0.70 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HSD17B10NPC1RAB9A
SCHEMBL222527 0.70 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HSD17B10NPC1RAB9A
SCHEMBL3081165 0.70 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HSD17B10NPC1RAB9A

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 20 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-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-2550255-A1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS Siemens Medical Solutions USA, Inc. (US) 2013-01-30 EP 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
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 ALDH1A1 3291/4885MAPT 1/4885SMN1; SMN2 39/4885
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 ALDH1A1 3926/4885MAPT 1/4885SMN1; SMN2 26/4885
US-20100239496-A1 Imaging agents for detecting neurological disorders MAPT, APP, PSEN1 ALDH1A1 3291/4885MAPT 1/4885SMN1; SMN2 39/4885

“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.