SCHEMBL3558607

SCHEMBL3558607

O=C(O)c1nc(O)nc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 2/20 0.57
ALDH1A1 P00352 1/20 0.57
DYRK1A Q13627 4/20 0.46
PDE10A Q9Y233 3/20 0.46
DHODH Q02127 2/20 0.46
KDM4E B2RXH2 2/20 0.44
GLA P06280 1/20 0.44
ATM Q13315 1/20 0.44
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.43
POLB P06746 2/20 0.42
PIM1 P11309 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
DYRK1B Q9Y463 3/20 0.42

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
SCHEMBL9202412 0.80 SMN1; SMN2 (0.57) SMN1; SMN2MAPTALDH1A1DYRK1APDE10A
SCHEMBL3067398 0.79 ALDH1A1 (0.68) SMN1; SMN2MAPTALDH1A1DYRK1APDE10A
SCHEMBL29280465 0.78 MAPT (0.55) SMN1; SMN2MAPTALDH1A1DYRK1APDE10A
SCHEMBL31716020 0.78 ALDH1A1 (0.55) SMN1; SMN2MAPTALDH1A1DYRK1APDE10A
SCHEMBL5781008 0.78 ABCG2 (0.57) SMN1; SMN2MAPTALDH1A1PDE10AKDM4E
SCHEMBL3088381 0.78 ADORA3 (0.66) SMN1; SMN2MAPTALDH1A1DYRK1APDE10A
Hydrochloric Acid SCHEMBL30201989 0.77 MAPT (0.53) SMN1; SMN2MAPTALDH1A1DYRK1APDE10A
SCHEMBL10730880 0.77 MEN1 (0.56) SMN1; SMN2MAPTALDH1A1KDM4EATM
SCHEMBL296952 0.76 ALDH1A1 (0.63) SMN1; SMN2MAPTALDH1A1DYRK1APDE10A
SCHEMBL29849579 0.76 ALDH1A1 (0.63) SMN1; SMN2MAPTALDH1A1DYRK1APDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101203518-B Fluorene derivative, composition containing the same and use thereof AVENTIS PHARMA SA 2013-07-24 CN disclosed
US-7674795-B2 Fluorene derivatives, composition containing said derivatives and the use thereof AVENTIS PHARMA SA (FR) 2010-03-09 US disclosed
WO-2008109179-A1 METALLOPROTEASE INHIBITORS CONTAINING A SQUARAMIDE MOIETY ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-09-12 WO disclosed
US-20080221094-A1 Metalloprotease inhibitors containing a squaramide moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof AVENTIS PHARMA S.A. (FR) 2008-06-26 US disclosed
CN-101203518-A Novel fluorene derivatives, compositions containing same and uses thereof AVENTIS PHARMA SA (FR) 2008-06-18 CN 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-20080221094-A1 Metalloprotease inhibitors containing a squaramide moiety MMP13, MMP14, MMP11 SMN1; SMN2 851/4885MAPT 3847/4885ALDH1A1 1641/4885
US-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof HSP90B1, HSP90AB1, HSP90AA1 SMN1; SMN2 1564/4885MAPT 844/4885ALDH1A1 3050/4885

“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.