SCHEMBL3095214

SCHEMBL3095214

O=C(NCc1cnnn1-c1ccc(N2CCCNCC2)nc1)c1ccc(Cl)s1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.42
HPGD P15428 3/20 0.38
MAPK8 P45983 1/20 0.37
USP28 Q96RU2 1/20 0.36
USP25 Q9UHP3 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F2 P00734 1/20 0.35
ATR Q13535 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
TSHR P16473 1/20 0.35
PRKCQ Q04759 1/20 0.35

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
SCHEMBL3083075 0.97 F10 (0.44) F10HPGDMAPK8USP28MAPKAPK2
SCHEMBL3090985 0.86 F10 (0.46) F10HPGDMAPK8ALDH1A1SMN1; SMN2
SCHEMBL3100918 0.86 F10 (0.44) F10HPGDMAPK8TSHR
SCHEMBL1097164 0.84 MIF (0.46) F10HPGDMAPK8IRAK4
SCHEMBL1096878 0.80 MIF (0.49) F10HPGDMAPK8TSHR
SCHEMBL3095005 0.75 HPGD (0.42) F10HPGDALDH1A1F2TSHR
SCHEMBL3098205 0.75 MIF (0.52) F10HPGDALDH1A1SMN1; SMN2
SCHEMBL3101022 0.74 HPGD (0.41) F10HPGDALDH1A1F2TSHR
SCHEMBL3087808 0.74 F10 (0.51) F10HPGDF2TSHR
SCHEMBL3095167 0.74 MIF (0.51) F10HPGDMAPK8ALDH1A1SMN1; 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-20100234352-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-16 US claimed
US-7696352-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-13 US 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
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 F10 10/4885HPGD 439/4885MAPK8 2764/4885
US-20100234352-A1 FACTOR XA INHIBITORS TFPI, F12, F11 F10 10/4885HPGD 439/4885MAPK8 2764/4885

“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.