SCHEMBL3829778

SCHEMBL3829778

COC1CC(C(=O)Nc2ccc(-n3c(=O)cc(C)n3C)cc2)N(C(=O)Nc2ccc(Cl)cc2)C1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.60
KLKB1 P03952 2/20 0.46
TSHR P16473 1/20 0.42
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CFD P00746 2/20 0.38

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
SCHEMBL4101316 1.00 F10 (0.60) F10KLKB1TSHRPOLBSMN1; SMN2
SCHEMBL3830288 0.90 F10 (0.63) F10KLKB1SMN1; SMN2
SCHEMBL3835455 0.90 F10 (0.63) F10KLKB1SMN1; SMN2
SCHEMBL3828700 0.88 F10 (0.59) F10KLKB1TSHRPOLBMEN1
SCHEMBL3835698 0.82 F10 (0.61) F10KLKB1TSHRPOLBSMN1; SMN2
SCHEMBL3835302 0.82 F10 (0.61) F10KLKB1TSHRPOLBSMN1; SMN2
SCHEMBL3830031 0.82 F10 (0.57) F10KLKB1TSHRPOLBSMN1; SMN2
SCHEMBL76485 0.81 F10 (0.81) F10
SCHEMBL3831790 0.81 F10 (0.57) F10KLKB1TSHRPOLBSMN1; SMN2
SCHEMBL3832281 0.80 F10 (0.59) F10KLKB1TSHRPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030141-B2 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2006-04-18 US claimed
EP-1465864-B1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER LAMBERT CO (US) 2006-03-15 EP claimed
US-20090221546-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE PFIZER INC 2009-09-03 US disclosed
EP-2085391-A2 Inhibitors of factor XA and other serine proteases involved in the coagulation cascade Warner-Lambert Company LLC (US) 2009-08-05 EP disclosed
US-20080287674-A1 Inhibitors of Factor XA and Other Serine Proteases Involved in the Coagulation Cascade WARNER-LAMBERT COMPANY LLC 2008-11-20 US disclosed
US-7407974-B2 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade PFIZER INC. (US) 2008-08-05 US disclosed
EP-1671949-B1 Substituted Pyridinylamines WARNER LAMBERT CO (US) 2008-07-23 EP disclosed
EP-1671949-A2 Substituted phenylamines and pyridinylamines WARNER-LAMBERT COMPANY LLC (US) 2006-06-21 EP disclosed
US-7030141-B2 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2006-04-18 US disclosed
EP-1465864-B1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER LAMBERT CO (US) 2006-03-15 EP 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 (2 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-20080287674-A1 Inhibitors of Factor XA and Other Serine Proteases Involved in the Coagulation Cascade TFPI, F11, F2 F10 11/4885KLKB1 116/4885TSHR 2544/4885
US-20090221546-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE F11, F2, TFPI F10 10/4885KLKB1 110/4885TSHR 2687/4885

“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.