SCHEMBL5779826

SCHEMBL5779826

Nc1cccc(CN2C(=O)c3cccc(NC(=O)c4ccc(Cl)s4)c3C2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.48
MAPT P10636 4/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 2/20 0.47
HDAC1 Q13547 1/20 0.44
ACHE P22303 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
STK33 Q9BYT3 1/20 0.39
GRM5 P41594 2/20 0.39

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
SCHEMBL5779457 0.90 F10 (0.50) F10MAPTKDM4EMAPK1HDAC1
SCHEMBL3381035 0.89 F10 (0.51) F10MAPTKDM4EMAPK1HDAC1
SCHEMBL5781951 0.89 F10 (0.51) F10MAPTKDM4EMAPK1HDAC1
SCHEMBL5781766 0.89 F10 (0.50) F10MAPTKDM4EMAPK1HDAC1
SCHEMBL5781838 0.88 HDAC1 (0.47) F10MAPTKDM4EMAPK1HDAC1
SCHEMBL6402784 0.88 F10 (0.52) F10MAPTKDM4EMAPK1HDAC1
SCHEMBL5781909 0.87 F10 (0.51) F10MAPTKDM4EMAPK1HDAC1
SCHEMBL5785214 0.87 F10 (0.51) F10MAPTKDM4EMAPK1HDAC1
SCHEMBL3377540 0.86 HDAC1 (0.45) F10MAPTKDM4EMAPK1HDAC1
SCHEMBL5780091 0.86 F10 (0.48) F10MAPTKDM4EMAPK1HDAC1

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 3 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

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 F10 4/4885MAPT 4734/4885KDM4E 3230/4885

“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.