SCHEMBL1644247

SCHEMBL1644247

NCCc1ccccc1Sc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 7/20 0.56
SLC6A4 P31645 2/20 0.49
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
TXNRD1 Q16881 1/20 0.43
TXNRD3 Q86VQ6 1/20 0.43
TXNRD2 Q9NNW7 1/20 0.43
PDE7B Q9NP56 2/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC6A2 P23975 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
HSPB1 P04792 1/20 0.39

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
SCHEMBL1645266 0.85 SLC6A4 (0.55) PDE7ASLC6A4MAPTLMNASMN1; SMN2
SCHEMBL1644221 0.81 SLC6A4 (0.69) PDE7ASLC6A4LMNASLC6A2TDP1
SCHEMBL1644242 0.81 PDE7A (0.49) PDE7ASLC6A4MAPTLMNATXNRD1
SCHEMBL5980751 0.77 PDE7A (0.56) PDE7ASLC6A4MAPTLMNASMN1; SMN2
SCHEMBL1340757 0.76 PDE7A (0.55) PDE7ASLC6A4MAPTLMNASMN1; SMN2
SCHEMBL6743647 0.75 PDE7A (0.73) PDE7AMAPTSMN1; SMN2TXNRD1TXNRD3
SCHEMBL17870695 0.74 TDP1 (0.59) PDE7AMAPTSMN1; SMN2POLBL3MBTL1
SCHEMBL1645800 0.74 MAPT (0.60) PDE7ASLC6A4MAPTLMNATXNRD1
SCHEMBL2153441 0.73 TAAR1 (0.54) SLC6A4LMNASMN1; SMN2SLC6A2
SCHEMBL30408060 0.72 ALDH1A1 (0.62) L3MBTL1ALDH1A1MEN1KMT2A

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 1 patent. 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

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 PDE7A 2453/4885SLC6A4 1/4885MAPT 674/4885

“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.