SCHEMBL1029685

SCHEMBL1029685

O=C(O)[C@H]1C[C@@H](F)C[C@@H]1C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.64
POLB P06746 3/20 0.64
HTT P42858 2/20 0.64
LMNA P02545 3/20 0.56
ALDH1A1 P00352 3/20 0.56
TDP1 Q9NUW8 3/20 0.49
NPC1 O15118 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
PPM1B O75688 1/20 0.47
GRM4 Q14833 2/20 0.47
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
PARP1 P09874 1/20 0.45
PARP10 Q53GL7 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 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
SCHEMBL10768094 0.91 RAB9A (0.71) RAB9APOLBHTTLMNAALDH1A1
SCHEMBL1031920 0.81 POLB (0.48) RAB9APOLBHTTLMNAALDH1A1
SCHEMBL4053644 0.79 L3MBTL1 (0.51) RAB9AHTTLMNAALDH1A1TDP1
SCHEMBL1029766 0.79 L3MBTL1 (0.51) RAB9AHTTLMNAALDH1A1TDP1
SCHEMBL1031612 0.79 L3MBTL1 (0.51) RAB9AHTTLMNAALDH1A1TDP1
SCHEMBL727184 0.78 ALDH1A1 (0.84) RAB9APOLBHTTLMNAALDH1A1
SCHEMBL1030838 0.78 POLB (0.62) RAB9APOLBHTTLMNAALDH1A1
SCHEMBL28508124 0.78 LMNA (0.54) RAB9APOLBHTTLMNAALDH1A1
SCHEMBL10904584 0.76 ALDH1A1 (0.71) RAB9APOLBHTTLMNAALDH1A1
SCHEMBL1027576 0.76 HTT (0.64) RAB9APOLBHTTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20060106016-A1 Dicarboxamide derivatives HOFFMANN-LA ROCHE INC. 2006-05-18 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-20060106016-A1 Dicarboxamide derivatives F2, F12, TFPI RAB9A 2494/4885POLB 3769/4885HTT 4761/4885
US-20090270360-A1 DICARBOXAMIDE DERIVATIVES F2, F12, TFPI RAB9A 2494/4885POLB 3769/4885HTT 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.