SCHEMBL1645266

SCHEMBL1645266

Cc1ccc(Sc2ccccc2CCN)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.55
SLC6A2 P23975 5/20 0.55
SLC6A3 Q01959 5/20 0.55
PDE7A Q13946 3/20 0.46
MAPT P10636 4/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
TXNRD1 Q16881 1/20 0.43
TXNRD3 Q86VQ6 1/20 0.43
TXNRD2 Q9NNW7 1/20 0.43
KAT2B Q92831 2/20 0.43
PDE7B Q9NP56 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 1/20 0.43
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41

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
SCHEMBL1644247 0.85 PDE7A (0.56) SLC6A4SLC6A2PDE7AMAPTPOLB
SCHEMBL5981083 0.82 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3PDE7AMAPT
SCHEMBL1644437 0.82 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3LMNATDP1
SCHEMBL2964985 0.80 PDE7A (0.70) SLC6A4SLC6A2SLC6A3PDE7AMAPT
SCHEMBL2960424 0.80 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3PDE7AMAPT
SCHEMBL28486737 0.79 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3TDP1CYP3A4
SCHEMBL4706984 0.77 SLC6A2 (0.64) SLC6A4SLC6A2SLC6A3PDE7AMAPT
SCHEMBL810289 0.75 PDE7A (0.68) SLC6A4SLC6A2SLC6A3PDE7AMAPT
SCHEMBL1645181 0.74 SLC6A4 (0.75) SLC6A4SLC6A2SLC6A3MAPTPOLB
SCHEMBL2154532 0.74 TAAR1 (0.62) SLC6A4SLC6A2SLC6A3MAPTPOLB

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 SLC6A4 1/4885SLC6A2 3/4885SLC6A3 6/4885

“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.