SCHEMBL3087526

SCHEMBL3087526

O=C(NCc1ccn(-c2ccc(I)cc2)n1)c1ccc(Cl)s1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
TSHR P16473 1/20 0.45
F10 P00742 5/20 0.43
AR P10275 3/20 0.43
MAPK1 P28482 1/20 0.41
MIF P14174 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL3078078 0.84 F10 (0.66) HPGDF10
SCHEMBL1106557 0.83 MIF (0.61) HPGDTSHRMIFKDM4ELMNA
SCHEMBL3098386 0.80 HPGD (0.46) HPGDTSHRF10MAPK1MIF
SCHEMBL1708736 0.78 HPGD (0.52) HPGDTSHRF10MAPK1MIF
SCHEMBL1708964 0.77 HPGD (0.48) HPGDTSHRF10MAPK1MIF
SCHEMBL3076303 0.77 F10 (0.46) HPGDTSHRF10MAPK1KDM4E
SCHEMBL13153540 0.75 HPGD (0.46) HPGDTSHRF10MAPK1KDM4E
SCHEMBL1277419 0.75 HPGD (0.46) HPGDTSHRF10MAPK1MIF
SCHEMBL13153502 0.74 F10 (0.53) HPGDTSHRF10
SCHEMBL3088089 0.74 HPGD (0.49) HPGDTSHRF10MAPK1

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
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
EP-2114928-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2009-11-11 EP 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

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 439/4885TSHR 2650/4885F10 10/4885
US-20100234352-A1 FACTOR XA INHIBITORS TFPI, F12, F11 HPGD 439/4885TSHR 2650/4885F10 10/4885

“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.