SCHEMBL1096147

SCHEMBL1096147

O=C(NCc1cc(-c2ccc(NCc3ccccc3)cc2)no1)c1ccc(Cl)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.52
PRKCA P17252 1/20 0.52
GRK2 P25098 1/20 0.52
POLB P06746 2/20 0.47
ALDH1A1 P00352 3/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
JAK2 O60674 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
LMNA P02545 3/20 0.44
F10 P00742 1/20 0.44
ESRRG P62508 1/20 0.44
TSHR P16473 1/20 0.43
HDAC1 Q13547 4/20 0.41
KDM4E B2RXH2 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
SCHEMBL1095575 0.89 POLB (0.49) ROCK2PRKCAGRK2POLBALDH1A1
SCHEMBL1095698 0.89 HPGD (0.53) ROCK2PRKCAGRK2POLBALDH1A1
SCHEMBL1096444 0.85 POLB (0.65) POLBALDH1A1HTTSMN1; SMN2JAK2
SCHEMBL1097997 0.84 ALDH1A1 (0.49) ROCK2PRKCAGRK2POLBALDH1A1
SCHEMBL1096148 0.84 POLB (0.52) ROCK2PRKCAGRK2POLBALDH1A1
SCHEMBL1096369 0.84 POLB (0.54) POLBALDH1A1HTTSMN1; SMN2JAK2
SCHEMBL1096424 0.83 HPGD (0.58) ROCK2PRKCAGRK2POLBALDH1A1
SCHEMBL1101073 0.83 POLB (0.56) POLBALDH1A1HTTSMN1; SMN2JAK2
SCHEMBL8277511 0.83 POLB (0.53) POLBALDH1A1HTTSMN1; SMN2JAK2
SCHEMBL1096332 0.83 POLB (0.53) POLBALDH1A1HTTSMN1; SMN2JAK2

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 ROCK2 2648/4885PRKCA 4401/4885GRK2 4593/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 ROCK2 2648/4885PRKCA 4401/4885GRK2 4593/4885

“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.