SCHEMBL6407626

SCHEMBL6407626

O=C(O)NCc1cccc(CN2C(=O)c3cccc(NC(=O)c4ccc(Cl)s4)c3C2O)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.50
STK33 Q9BYT3 1/20 0.38
HPGD P15428 2/20 0.37
ACKR3 P25106 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
PRSS12 P56730 3/20 0.35
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TSHR P16473 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
CCR4 P51679 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL6408829 0.88 F10 (0.46) F10STK33HPGDACKR3ALDH1A1
SCHEMBL3991573 0.85 F10 (0.43) F10STK33HPGDACKR3ALDH1A1
SCHEMBL5783337 0.84 F10 (0.43) F10STK33HPGDACKR3ALDH1A1
SCHEMBL5785459 0.82 F10 (0.43) F10STK33HPGDACKR3ALDH1A1
SCHEMBL6402784 0.81 F10 (0.52) F10STK33HPGDALDH1A1SMN1; SMN2
SCHEMBL3982271 0.81 F10 (0.41) F10STK33HPGDALDH1A1SMN1; SMN2
SCHEMBL6404276 0.75 F10 (0.43) F10HPGDACKR3ALDH1A1SMN1; SMN2
SCHEMBL5781909 0.74 F10 (0.51) F10STK33HPGDACKR3ALDH1A1
SCHEMBL3381006 0.73 F10 (0.45) F10STK33HPGDACKR3ALDH1A1
SCHEMBL5784719 0.72 F10 (0.74) F10STK33HPGDACKR3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4/4885STK33 3056/4885HPGD 25/4885

“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.