SCHEMBL2387138

SCHEMBL2387138

CCOC(=O)/C=C/c1ccnc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPT P10636 5/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
HTT P42858 2/20 0.53
ATM Q13315 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HSP90AA1 P07900 1/20 0.53
CCNC P24863 1/20 0.49
CDK8 P49336 1/20 0.49
HPGD P15428 4/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
CASP3 P42574 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 3/20 0.47
MAPK1 P28482 3/20 0.47
CYP1A2 P05177 2/20 0.47

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
SCHEMBL7207768 1.00 ALDH1A1 (0.53) ALDH1A1MAPTNPC1RAB9AHTT
SCHEMBL6853096 0.85 CA12 (0.54) MAPTNPC1RAB9AATMCCNC
SCHEMBL11218812 0.85 CA12 (0.54) MAPTNPC1RAB9AATMCCNC
SCHEMBL11549299 0.85 ATG4B (0.49) ALDH1A1MAPTNPC1RAB9AHTT
SCHEMBL13874944 0.85 MAPT (0.56) ALDH1A1MAPTNPC1RAB9AHTT
SCHEMBL26790567 0.84 CA12 (0.44) MAPTNPC1RAB9AATMCCNC
SCHEMBL592144 0.82 KDM4E (0.67) ALDH1A1NPSR1CCNCCDK8HPGD
SCHEMBL592145 0.82 KDM4E (0.67) ALDH1A1NPSR1CCNCCDK8HPGD
SCHEMBL30634299 0.82 CA12 (0.43) MAPTNPC1RAB9AATMCCNC
SCHEMBL30634245 0.82 CA12 (0.43) ALDH1A1MAPTNPC1RAB9AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-29 US disclosed
EP-0922050-B1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2003-07-30 EP disclosed
EP-0922050-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1999-06-16 EP disclosed
US-5750510-A ANTIBIOTICS ABBOTT LABORATORIES (US) 1998-05-12 US disclosed
WO-1997042205-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1997-11-13 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-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS DCLRE1A, AZI2, CHD9 ALDH1A1 2376/4885MAPT 4511/4885NPC1 3703/4885

“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.