Sugi Predict

Sugi Predict / Compounds / SCHEMBL5779158

SCHEMBL5779158

SCHEMBL5779158

NC(=S)Cc1ccc(CN2C(=O)c3cccc(NC(=O)c4ccc(Cl)s4)c3C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.44
▸ F10 P00742 3/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ STK33 Q9BYT3 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.37
▸ GRM5 P41594 2/20 0.36
▸ RPS6KA2 Q15349 2/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA7 P43166 1/20 0.35

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
SCHEMBL5781466 0.91 HDAC1 (0.44) HDAC1F10MEN1KMT2AALDH1A1
SCHEMBL5781838 0.89 HDAC1 (0.47) HDAC1F10MEN1KMT2AALDH1A1
SCHEMBL5781606 0.89 HDAC1 (0.42) HDAC1F10MEN1KMT2AALDH1A1
SCHEMBL5781616 0.89 HDAC1 (0.42) HDAC1F10MEN1KMT2AALDH1A1
SCHEMBL3377540 0.87 HDAC1 (0.45) HDAC1F10MEN1KMT2AALDH1A1
SCHEMBL5782864 0.87 F10 (0.46) HDAC1F10MEN1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL5781931 0.87 HDAC1 (0.41) HDAC1F10MEN1KMT2AALDH1A1
SCHEMBL5780759 0.87 HDAC1 (0.47) HDAC1F10MEN1KMT2AALDH1A1
SCHEMBL6403364 0.85 HDAC1 (0.42) HDAC1F10MEN1KMT2AALDH1A1
SCHEMBL5777896 0.85 ALDH1A1 (0.46) HDAC1F10MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1408962-B1 SUBSTITUTED ISOINDOLES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-03-15 — — EP disclosed
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
EP-1408962-A1 SUBSTITUTED ISOINDOLES AND THE USE THEREOF Bayer HealthCare AG (DE) 2004-04-21 — — EP disclosed
WO-2003007942-A1 SUBSTITUTED ISOINDOLES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2003-01-30 — — WO 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 1191/4885F10 4/4885MEN1 3943/4885

“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.