SCHEMBL1096563

SCHEMBL1096563

CSc1cc(C(=N)N(C)C)ccc1-c1cc(CNC(=O)c2ccc(Cl)s2)on1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 1/20 0.37
F10 P00742 6/20 0.37
POLB P06746 2/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 3/20 0.34
JAK2 O60674 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL1106549 0.88 MAPK1 (0.40) MAPK1ALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL1096997 0.88 MAPK1 (0.40) MAPK1ALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL1096283 0.86 MAPK1 (0.39) MAPK1ALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL1095550 0.85 F10 (0.38) ALDH1A1HPGDSMN1; SMN2TSHRF10
SCHEMBL1096592 0.85 F10 (0.39) MAPK1HPGDTSHRF10POLB
SCHEMBL1095509 0.85 POLB (0.50) MAPK1ALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL1096752 0.84 F10 (0.37) ALDH1A1HPGDSMN1; SMN2TSHRF10
SCHEMBL1095694 0.84 F10 (0.38) MAPK1HPGDSMN1; SMN2TSHRF10
SCHEMBL8278824 0.84 MAPK1 (0.39) MAPK1ALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL1096295 0.83 HPGD (0.39) MAPK1ALDH1A1HPGDTSHRF10

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-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US claimed
EP-1893572-B1 FACTOR XA INHIBITORS MILLENNIUM PHARM INC (US) 2016-12-14 EP disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 WO 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-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 MAPK1 2929/4885ALDH1A1 974/4885HPGD 316/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 MAPK1 2929/4885ALDH1A1 974/4885HPGD 316/4885

“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.