Sugi Predict

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SCHEMBL5777896

SCHEMBL5777896

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ F10 P00742 1/20 0.41
▸ HDAC1 Q13547 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ STK33 Q9BYT3 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ RPS6KA2 Q15349 2/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.36
▸ GRM5 P41594 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 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
SCHEMBL5781466 0.88 HDAC1 (0.44) ALDH1A1HPGDSMN1; SMN2F10HDAC1
SCHEMBL5781838 0.86 HDAC1 (0.47) ALDH1A1HPGDSMN1; SMN2F10HDAC1
SCHEMBL3377540 0.86 HDAC1 (0.45) ALDH1A1HPGDSMN1; SMN2F10HDAC1
SCHEMBL5779158 0.85 HDAC1 (0.44) ALDH1A1HPGDSMN1; SMN2F10HDAC1
SCHEMBL5784444 0.85 F10 (0.40) ALDH1A1HPGDSMN1; SMN2F10HDAC1
SCHEMBL5781616 0.84 HDAC1 (0.42) ALDH1A1HPGDSMN1; SMN2F10HDAC1
SCHEMBL5781606 0.84 HDAC1 (0.42) ALDH1A1HPGDSMN1; SMN2F10HDAC1
Trifluoroacetic Acid SCHEMBL5781931 0.83 HDAC1 (0.41) ALDH1A1HPGDSMN1; SMN2F10HDAC1
SCHEMBL5781704 0.83 F10 (0.45) ALDH1A1HPGDSMN1; SMN2F10HDAC1
SCHEMBL5780759 0.83 HDAC1 (0.47) ALDH1A1HPGDSMN1; SMN2F10HDAC1

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 ALDH1A1 1523/4885HPGD 25/4885SMN1; SMN2 4230/4885

“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.