SCHEMBL6404276

SCHEMBL6404276

CC(C)(C)OC(=O)NCc1cccc(CN2C(=O)c3c(NC(=O)c4ccc(Cl)s4)cccc3C2O)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.43
GLS O94925 6/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCR4 P51679 3/20 0.36
ROCK2 O75116 1/20 0.35
CCR5 P51681 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
HDAC1 Q13547 2/20 0.34
ACKR3 P25106 1/20 0.34
TAS2R8 Q9NYW2 1/20 0.34
BRD4 O60885 2/20 0.34
CREBBP Q92793 1/20 0.34
P2RX7 Q99572 1/20 0.33

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
SCHEMBL6408829 0.88 F10 (0.46) F10GLSALDH1A1HPGDSMN1; SMN2
SCHEMBL6404783 0.83 F10 (0.48) F10GLSALDH1A1HPGDSMN1; SMN2
SCHEMBL3381006 0.83 F10 (0.45) F10ALDH1A1HPGDSMN1; SMN2ACKR3
SCHEMBL5779884 0.82 F10 (0.40) F10ALDH1A1HPGDSMN1; SMN2ACKR3
SCHEMBL3377662 0.80 HPGD (0.44) F10ALDH1A1HPGDSMN1; SMN2ACKR3
SCHEMBL3979217 0.79 HPGD (0.40) F10ALDH1A1HPGDSMN1; SMN2CCR4
SCHEMBL5780260 0.77 HPGD (0.41) F10ALDH1A1HPGDSMN1; SMN2ACKR3
SCHEMBL6407626 0.75 F10 (0.50) F10ALDH1A1HPGDSMN1; SMN2CCR4
SCHEMBL8229731 0.75 F10 (0.39) F10ALDH1A1HPGDSMN1; SMN2ACKR3
SCHEMBL8229933 0.72 CCR4 (0.35) F10ALDH1A1HPGDSMN1; SMN2CCR4

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-6933295-B2 Substituted isoindoles and the use thereof BAYER AKTIENGESELLSCHAFT (DE) 2005-08-23 US disclosed
US-20050004207-A1 Nitrogen compounds such as N-(2-{4-[2-Amino-2-(hydroxyimino)ethyl]benzyl}-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)-5-chloro-2-thiophenecarboxamide, used as blood-coagulation factor Xa antogonists for prophylaxis of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-01-06 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-20050004207-A1 Nitrogen compounds such as N-(2-{4-[2-Amino-2-(hydroxyimino)ethyl]benzyl}-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)-5-chloro-2-thiophenecarboxamide, used as blood-coagulation factor Xa antogonists for prophylaxis of cardiovascular disorders F2, SERPINC1, F11 F10 4/4885GLS 1766/4885ALDH1A1 1523/4885

“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.