SCHEMBL6078437

SCHEMBL6078437

CCO[C@@H](C(=O)NCc1ccc(C(=N)N)cc1NCc1ccccc1F)N1Cc2ccc(Cl)cc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.36
MAPT P10636 3/20 0.34
SLC1A2 P43004 1/20 0.34
THRB P10828 1/20 0.33
CNR1 P21554 1/20 0.33
KLKB1 P03952 1/20 0.32
NAMPT P43490 1/20 0.32
MAPK1 P28482 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
SDCBP O00560 1/20 0.32
SDC2 P34741 1/20 0.32

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
SCHEMBL6078421 1.00 F10 (0.36) F10MAPTSLC1A2THRBCNR1
Acetic Acid SCHEMBL6078933 0.98 F10 (0.35) F10MAPTSLC1A2THRBCNR1
SCHEMBL6078241 0.90 SDCBP (0.33) F10MAPTTHRBKLKB1LMNA
SCHEMBL6078271 0.90 SDCBP (0.33) F10MAPTTHRBKLKB1LMNA
SCHEMBL6077985 0.89 F10 (0.38) F10SLC1A2KLKB1TP53LMNA
SCHEMBL6077997 0.89 F10 (0.38) F10SLC1A2KLKB1TP53LMNA
SCHEMBL6030868 0.89 F10 (0.38) F10SLC1A2KLKB1TP53LMNA
SCHEMBL6030857 0.89 F10 (0.38) F10SLC1A2KLKB1TP53LMNA
Acetic Acid SCHEMBL6078279 0.88 SDCBP (0.34) F10MAPTTHRBKLKB1LMNA
Acetic Acid SCHEMBL6079078 0.88 F10 (0.38) F10SLC1A2LMNA

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-7056932-B2 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMAN-LA ROCHE INC. (US) 2006-06-06 US disclosed
US-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMANN-LA ROCHE INC. 2005-06-23 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 (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-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides F12, TFPI, F11 F10 8/4885MAPT 4778/4885SLC1A2 2506/4885

“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.