SCHEMBL3087908

SCHEMBL3087908

O=C(NCc1ccc(-n2cnc(CNC(=O)c3ccc(Cl)s3)c2)cc1)c1ccc(Cl)s1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
F10 P00742 7/20 0.46
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL1708736 0.90 HPGD (0.52) HPGDKDM4ELMNAF10TSHR
SCHEMBL3089664 0.90 HPGD (0.52) HPGDKDM4ELMNAF10TSHR
SCHEMBL8277767 0.87 HPGD (0.49) HPGDKDM4ELMNAF10TSHR
SCHEMBL1106605 0.87 HPGD (0.49) HPGDKDM4ELMNAF10TSHR
SCHEMBL4908803 0.86 HPGD (0.48) HPGDKDM4ELMNAF10TSHR
SCHEMBL8225099 0.85 HPGD (0.47) HPGDF10TSHR
SCHEMBL4905458 0.85 HPGD (0.47) HPGDKDM4ELMNAF10TSHR
SCHEMBL1277601 0.84 F10 (0.63) HPGDF10
SCHEMBL8230688 0.84 HPGD (0.47) HPGDF10TSHRMAPK1
SCHEMBL1277358 0.84 F10 (0.47) HPGDKDM4ELMNAF10TSHR

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 439/4885KDM4E 2399/4885LMNA 951/4885
US-20100234352-A1 FACTOR XA INHIBITORS TFPI, F12, F11 HPGD 439/4885KDM4E 2399/4885LMNA 951/4885

“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.