SCHEMBL6480608

SCHEMBL6480608

CCOC(=O)c1cccnc1Oc1ccc(CC(N)CO)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RAB9A P51151 1/20 0.44
GAA P10253 1/20 0.44

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
Hydrochloric Acid SCHEMBL6480603 0.99 TDP1 (0.47) TDP1L3MBTL1MAPK1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6486019 0.99 TDP1 (0.47) TDP1L3MBTL1MAPK1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6486010 0.99 TDP1 (0.47) TDP1L3MBTL1MAPK1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6480613 0.99 TDP1 (0.47) TDP1L3MBTL1MAPK1ALDH1A1MAPT
SCHEMBL6480671 0.89 TDP1 (0.63) TDP1ALDH1A1RAB9AGAA
Hydrochloric Acid SCHEMBL6480674 0.88 TDP1 (0.62) TDP1ALDH1A1RAB9AGAA
Hydrochloric Acid SCHEMBL6480666 0.88 TDP1 (0.62) TDP1ALDH1A1RAB9AGAA
Hydrochloric Acid SCHEMBL6479201 0.84 RAB9A (0.61) ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL6486789 0.84 RAB9A (0.61) ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL6478621 0.82 ALDH1A1 (0.53) ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-10-03 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 (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-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB2, ADRB3 TDP1 3342/4885L3MBTL1 2659/4885MAPK1 457/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 TDP1 3843/4885L3MBTL1 2835/4885MAPK1 921/4885

“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.