SCHEMBL10179083

SCHEMBL10179083

CCOOCC1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
KCNH2 Q12809 3/20 0.36
HTR3A P46098 2/20 0.36
GNAO1 P09471 3/20 0.35
GNAI3 P08754 2/20 0.35
GNAI1 P63096 2/20 0.35
EP300 Q09472 2/20 0.34
SLC6A3 Q01959 2/20 0.33
KDM1A O60341 2/20 0.33
HRH3 Q9Y5N1 3/20 0.32
HRH4 Q9H3N8 1/20 0.32
GBA1 P04062 1/20 0.32
HTR4 Q13639 1/20 0.31

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
SCHEMBL13586971 0.92 TDP1 (0.38) TDP1SLC6A2SLC6A4KCNH2HTR3A
SCHEMBL91544 0.79 TDP1 (0.43) TDP1SLC6A2SLC6A4KCNH2HTR3A
SCHEMBL31457129 0.76 CYP1A2 (0.41)
SCHEMBL82090 0.73
SCHEMBL7968964 0.73 SHBG (0.37)
SCHEMBL15471412 0.73
SCHEMBL31019837 0.72 TDP1 (0.39) TDP1SLC6A2SLC6A4KCNH2HTR3A
SCHEMBL470809 0.71 TDP1 (0.40) TDP1SLC6A2SLC6A4KCNH2HTR3A
Hydrochloric Acid SCHEMBL796439 0.71 TDP1 (0.53) TDP1SLC6A2SLC6A4KCNH2HTR3A
SCHEMBL13778198 0.71 NCF1 (0.46) GNAO1GNAI3GNAI1HRH3HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468734-A1 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry Siemens Medical Solutions USA, Inc. (US) 2012-06-27 EP disclosed
WO-2011103715-A1 TASK CHANNEL ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-09-01 WO disclosed
WO-2011106276-A1 TASK CHANNEL ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-09-01 WO disclosed
US-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-12-16 US disclosed
US-7829063-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-11-09 US disclosed
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-05-14 US disclosed
WO-2008124703-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2008-10-16 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-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry CA9, CA4, CA13 TDP1 4224/4885SLC6A2 3997/4885SLC6A4 3360/4885
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY CA9, CA4, CA13 TDP1 4224/4885SLC6A2 3997/4885SLC6A4 3360/4885

“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.