SCHEMBL3082820

SCHEMBL3082820

O=C(NCc1cn(-c2ccc(-c3ccc[nH]c3=O)cc2)cn1)c1ccc(Cl)s1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
F10 P00742 14/20 0.41
KLKB1 P03952 2/20 0.39
F2 P00734 1/20 0.39
F11 P03951 1/20 0.39
CTRB1 P17538 1/20 0.39
CTRL P40313 1/20 0.39
CTRB2 Q6GPI1 1/20 0.39
CTRC Q99895 1/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 1/20 0.38
KLK1 P06870 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
SCHEMBL3089598 0.85 HPGD (0.44) HPGDF10KLKB1F2TSHR
SCHEMBL3101182 0.80 HPGD (0.48) HPGDF10TSHRMAPT
SCHEMBL3087908 0.80 HPGD (0.53) HPGDF10TSHR
SCHEMBL3089664 0.79 HPGD (0.52) HPGDF10TSHR
SCHEMBL1708736 0.79 HPGD (0.52) HPGDF10TSHR
SCHEMBL1277583 0.79 HPGD (0.47) HPGDF10F2
SCHEMBL1277601 0.78 F10 (0.63) HPGDF10F2F11
SCHEMBL8225099 0.77 HPGD (0.47) HPGDF10TSHR
SCHEMBL8277767 0.77 HPGD (0.49) HPGDF10TSHR
SCHEMBL1106605 0.77 HPGD (0.49) HPGDF10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234352-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-16 US claimed
EP-2114928-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2009-11-11 EP claimed
WO-2008086188-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 WO claimed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 US claimed
US-20100234352-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100234352-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100234352-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-7696352-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-13 US disclosed
WO-2008086188-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 WO disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 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 (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-20070185092-A1 FACTOR Xa INHIBITORS TFPI, F12, F11 HPGD 439/4885F10 10/4885KLKB1 88/4885
US-20100234352-A1 FACTOR XA INHIBITORS TFPI, F12, F11 HPGD 439/4885F10 10/4885KLKB1 88/4885

“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.