Sugi Predict

Sugi Predict / Compounds / SCHEMBL5779243

SCHEMBL5779243

SCHEMBL5779243

N#CCc1ccc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.69
▸ CA2 P00918 2/20 0.69
▸ CA9 Q16790 2/20 0.69
▸ CA12 O43570 1/20 0.69
▸ CA4 P22748 1/20 0.54
▸ TDP1 Q9NUW8 2/20 0.53
▸ ACHE P22303 1/20 0.51
▸ ATM Q13315 1/20 0.50
▸ POLB P06746 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ S100A4 P26447 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL5783235 0.90 CA1 (0.60) CA1CA2CA9CA12CA4
SCHEMBL5782961 0.88 CA1 (0.70) CA1CA2CA9CA12CA4
SCHEMBL14348204 0.85 CA1 (0.73) CA1CA2CA9CA12CA4
SCHEMBL16863040 0.82 CA1 (0.68) CA1CA2CA9CA12CA4
SCHEMBL16862971 0.82 CA1 (0.58) CA1CA2CA9CA12CA4
SCHEMBL26712506 0.81 CA1 (0.67) CA1CA2CA9CA12CA4
SCHEMBL30451193 0.81 CA1 (0.67) CA1CA2CA9CA12CA4
SCHEMBL18669037 0.81 CA9 (0.67) CA1CA2CA9CA12CA4
SCHEMBL5780425 0.80 KDM4E (0.63) CA1CA2CA9CA12ACHE
SCHEMBL6407868 0.79 CA1 (0.55) CA1CA2CA9CA12CA4

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 CA1 1242/4885CA2 732/4885CA9 1537/4885

“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.