SCHEMBL6403437

SCHEMBL6403437

CN(C(=O)O)c1cc(-c2cccc(CN3C(=O)c4cccc(NC(=O)c5ccc(Cl)s5)c4C3=O)c2)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
F10 P00742 1/20 0.40
ACHE P22303 1/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
PRSS12 P56730 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CA9 Q16790 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL5784009 0.85 F10 (0.39) HDAC1HDAC4HDAC7HDAC8HDAC6
SCHEMBL5784393 0.85 F10 (0.42) HDAC1HDAC4HDAC7HDAC8HDAC6
SCHEMBL6403433 0.84 F10 (0.42) HDAC1HDAC4HDAC7HDAC8HDAC6
Hydrochloric Acid SCHEMBL6403511 0.84 F10 (0.42) HDAC1HDAC4HDAC7HDAC8HDAC6
SCHEMBL5784005 0.82 F10 (0.38) HDAC1HDAC4HDAC7HDAC8HDAC6
SCHEMBL5780091 0.81 F10 (0.48) HDAC1F10ACHEMAPTKDM4E
SCHEMBL3381035 0.79 F10 (0.51) HDAC1HDAC4HDAC7HDAC8HDAC6
SCHEMBL5781951 0.79 F10 (0.51) HDAC1HDAC4HDAC7HDAC8HDAC6
SCHEMBL5779487 0.78 F10 (0.45) HDAC1HDAC4HDAC7HDAC8HDAC6
SCHEMBL5779457 0.78 F10 (0.50) HDAC1HDAC4HDAC7HDAC8HDAC6

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 HDAC1 1191/4885HDAC4 2003/4885HDAC7 2586/4885

“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.