SCHEMBL1644381

SCHEMBL1644381

COC(=O)CCc1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.48
RAF1 P04049 1/20 0.48
GFER P55789 1/20 0.48
PAX8 Q06710 1/20 0.48
VCAM1 P19320 3/20 0.48
BMP1 P13497 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
HSP90AA1 P07900 1/20 0.43

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
SCHEMBL731999 0.86 MEN1 (0.56) ALDH1A1MAPTMAPK1LMNAHPGD
SCHEMBL30201064 0.84 POLB (0.50) ALDH1A1MAPTMAPK1HPGDGFER
SCHEMBL5416433 0.84 POLB (0.50) ALDH1A1MAPTMAPK1HPGDGFER
SCHEMBL10531892 0.84 NR1D1 (0.54) ALDH1A1MAPTMAPK1LMNAHPGD
SCHEMBL14565801 0.83 LMNA (0.52) ALDH1A1MAPTLMNAHPGDVCAM1
SCHEMBL3949693 0.83 ALDH1A1 (0.58) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL4850663 0.83 LMNA (0.47) ALDH1A1MAPTLMNAHPGDMEN1
SCHEMBL8781357 0.82 VCAM1 (0.53) ALDH1A1MAPTMAPK1LMNAVCAM1
SCHEMBL22338991 0.81 ATM (0.45) ALDH1A1MAPTLMNAHPGDMEN1
SCHEMBL3066819 0.81 TSHR (0.58) LMNASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110097274-A1 Carbon-11 and fluorine-18 labeled radioligands for positron emission tomography (PET) imaging for the brain serotonin transporters NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-04-28 US disclosed
EP-1519917-A4 CARBON-11 AND FLUORINE-18 LABELED RADIOLIGANDS FOR POSITRON EMISSION TOMOGRAPHY (PET) IMAGING FOR THE BRAIN SEROTONIN TRANSPORTERS UNIV COLUMBIA (US) 2006-05-17 EP disclosed
EP-1519917-A2 CARBON-11 AND FLUORINE-18 LABELED RADIOLIGANDS FOR POSITRON EMISSION TOMOGRAPHY (PET) IMAGING FOR THE BRAIN SEROTONIN TRANSPORTERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2005-04-06 EP disclosed
WO-2003096978-A2 CARBON-11 AND FLUORINE-18 LABELED RADIOLIGANDS FOR POSITRON EMISSION TOMOGRAPHY (PET) IMAGING FOR THE BRAIN SEROTONIN TRANSPORTERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2003-11-27 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 (1 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-20110097274-A1 Carbon-11 and fluorine-18 labeled radioligands for positron emission tomography (PET) imaging for the brain serotonin transporters SLC6A4, SLC18A2, SLC6A2 ALDH1A1 3333/4885MAPT 674/4885MAPK1 3377/4885

“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.