SCHEMBL6406958

SCHEMBL6406958

O=C(Nc1cccc2c1C(=O)N(CC1CCC(CNC(=O)C(F)(F)F)CC1)C2=O)c1ccc(Cl)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
F10 P00742 10/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
STK33 Q9BYT3 1/20 0.36
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
RPS6KA2 Q15349 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
SCHEMBL6404900 0.91 ACHE (0.43) ACHEF10HPGDALDH1A1SMN1; SMN2
SCHEMBL5784441 0.86 ACHE (0.43) ACHEF10HPGDALDH1A1SMN1; SMN2
SCHEMBL6404923 0.86 ACHE (0.43) ACHEF10HPGDALDH1A1SMN1; SMN2
SCHEMBL6401407 0.85 ACHE (0.40) ACHEF10HPGDALDH1A1SMN1; SMN2
SCHEMBL5784224 0.85 ACHE (0.40) ACHEF10HPGDALDH1A1SMN1; SMN2
SCHEMBL4311995 0.84 ACHE (0.43) ACHEF10HPGDALDH1A1SMN1; SMN2
SCHEMBL5781778 0.84 F10 (0.51) F10HDAC3HDAC4HDAC1HDAC6
SCHEMBL5783159 0.84 NR1I2 (0.49) F10HDAC3HDAC4HDAC1HDAC6
SCHEMBL5780500 0.83 ALDH1A1 (0.38) F10HDAC3HDAC4HDAC1HDAC6
SCHEMBL5784782 0.81 ALDH1A1 (0.36) F10HDAC3HDAC4HDAC1HDAC6

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 ACHE 207/4885F10 4/4885HDAC3 1340/4885

“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.