SCHEMBL1097202

SCHEMBL1097202

COc1ccc(CN(C)C)c(-c2ccc(-c3cc(CNC(=O)c4ccc(Cl)s4)on3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HTT P42858 3/20 0.50
LMNA P02545 3/20 0.50
POLB P06746 2/20 0.50
CYP1A2 P05177 1/20 0.50
HPGD P15428 3/20 0.47
MAPT P10636 2/20 0.43
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
JAK2 O60674 1/20 0.40
MAPK1 P28482 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
PDK1 Q15118 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
DGAT2 Q96PD7 1/20 0.38
F10 P00742 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL1097427 0.94 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1HTTLMNAPOLB
SCHEMBL1096354 0.87 LMNA (0.46) SMN1; SMN2ALDH1A1HTTLMNAPOLB
SCHEMBL1096907 0.87 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1HTTLMNAPOLB
SCHEMBL1095791 0.86 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1HTTLMNAPOLB
SCHEMBL1096669 0.83 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1HTTLMNAPOLB
SCHEMBL1096500 0.82 POLB (0.50) SMN1; SMN2ALDH1A1HTTLMNAPOLB
SCHEMBL1095859 0.81 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1HTTLMNAPOLB
SCHEMBL1095906 0.81 HPGD (0.41) SMN1; SMN2ALDH1A1HTTLMNAPOLB
SCHEMBL1096520 0.80 POLB (0.53) SMN1; SMN2ALDH1A1HTTLMNAPOLB
SCHEMBL1097039 0.79 LMNA (0.46) SMN1; SMN2ALDH1A1HTTLMNAPOLB

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 SMN1; SMN2 4168/4885ALDH1A1 974/4885HTT 3109/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 SMN1; SMN2 4168/4885ALDH1A1 974/4885HTT 3109/4885

“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.