SCHEMBL3087805

SCHEMBL3087805

CN1CCCN(c2ccc(-n3cc(CNC(=O)c4ccc(Cl)s4)nn3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MIF P14174 6/20 0.55
F10 P00742 6/20 0.52
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
NOTUM Q6P988 1/20 0.44
ALK Q9UM73 1/20 0.44
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
CHKA P35790 1/20 0.41
TSHR P16473 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
SCHEMBL1096549 0.90 MIF (0.48) MIFF10LMNAMAPK1KMT2A
SCHEMBL1097349 0.86 MIF (0.52) MIFF10LMNAMAPK1KMT2A
SCHEMBL3089674 0.85 F10 (0.51) F10LMNAMAPK1KMT2AHPGD
SCHEMBL3093673 0.82 MIF (0.54) MIFF10LMNAMAPK1KMT2A
SCHEMBL3091423 0.81 MIF (0.62) MIFF10MAPK1KMT2ANOTUM
SCHEMBL1097297 0.81 MIF (0.54) MIFF10NOTUMHPGDALDH1A1
SCHEMBL3098205 0.81 MIF (0.52) MIFF10NOTUMHPGDALDH1A1
SCHEMBL1106557 0.81 MIF (0.61) MIFLMNANOTUMHPGDKDM4E
SCHEMBL1096940 0.80 MIF (0.51) MIFF10NOTUMHPGDALDH1A1
SCHEMBL3095167 0.80 MIF (0.51) MIFF10NOTUMHPGDALDH1A1

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
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-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 MIF 792/4885F10 10/4885LMNA 951/4885
US-20100234352-A1 FACTOR XA INHIBITORS TFPI, F12, F11 MIF 792/4885F10 10/4885LMNA 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.