SCHEMBL1027648

SCHEMBL1027648

Nc1ccc(-n2ccc(O)cc2=O)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
ESRRA P11474 2/20 0.35

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
SCHEMBL17979345 0.78 SCD (0.43) ALDH1A1ALOX15HTTATMSCD
SCHEMBL30104800 0.77 F10 (0.43) ALDH1A1SMN1; SMN2CA12CA1CA2
SCHEMBL632873 0.77 F10 (0.43) ALDH1A1SMN1; SMN2CA12CA1CA2
SCHEMBL23296165 0.75 CRBN (0.51) ALDH1A1ALOX15HTTATMSMN1; SMN2
Hydrochloric Acid SCHEMBL4999286 0.75 F10 (0.42) ALDH1A1SMN1; SMN2F10
SCHEMBL2991826 0.75 ALDH1A1 (0.39) ALDH1A1HDAC1HDAC6ESR1ESR2
SCHEMBL1027558 0.73 MAPT (0.36) ALDH1A1ALOX15HTTATMHDAC1
SCHEMBL1029439 0.73 MCHR1 (0.57)
SCHEMBL12927339 0.70 F2 (0.47) ALDH1A1ALOX15HTTATMSMN1; SMN2
SCHEMBL33965 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101094835-B Diamide derivatives HOFFMANN LA ROCHE 2011-07-27 CN disclosed
EP-1814855-B1 DICARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS HOFFMANN LA ROCHE (CH) 2011-01-19 EP disclosed
US-20090270360-A1 DICARBOXAMIDE DERIVATIVES BOEHRINGER MARKUS 2009-10-29 US disclosed
US-7501413-B2 Dicarboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US disclosed
CN-101094835-A Novel diamide derivatives HOFFMANN LA ROCHE (CH) 2007-12-26 CN disclosed
EP-1814855-A2 DICARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-08-08 EP disclosed
US-20060106016-A1 Dicarboxamide derivatives HOFFMANN-LA ROCHE INC. 2006-05-18 US disclosed
WO-2006048152-A2 DICARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-11 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 (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-20060106016-A1 Dicarboxamide derivatives F2, F12, TFPI ALDH1A1 1180/4885ALOX15 2583/4885HTT 4761/4885
US-20090270360-A1 DICARBOXAMIDE DERIVATIVES F2, F12, TFPI ALDH1A1 1180/4885ALOX15 2583/4885HTT 4761/4885

“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.