SCHEMBL5780091

SCHEMBL5780091

CN(C)Cc1cccc(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 1/20 0.48
HPGD P15428 3/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
MAPK1 P28482 3/20 0.41
ACHE P22303 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 1/20 0.39
HDAC1 Q13547 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
STK33 Q9BYT3 1/20 0.38
GRM5 P41594 1/20 0.37
ACKR3 P25106 1/20 0.37
RPS6KA2 Q15349 1/20 0.37

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
SCHEMBL5781766 0.90 F10 (0.50) F10HPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL5781951 0.89 F10 (0.51) F10HPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL5779487 0.88 F10 (0.45) F10HPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL5779457 0.88 F10 (0.50) F10HPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL3381035 0.87 F10 (0.51) F10HPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL5785214 0.86 F10 (0.51) F10HPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL5779826 0.86 F10 (0.48) F10HPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL6403325 0.86 F10 (0.47) F10HPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL6401507 0.85 ACHE (0.50) F10HPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL6402784 0.85 F10 (0.52) F10HPGDALDH1A1SMN1; SMN2KDM4E

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 F10 4/4885HPGD 25/4885ALDH1A1 1523/4885

“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.