SCHEMBL1097997

SCHEMBL1097997

O=C(NCc1cc(-c2ccc(Oc3ccccc3)cc2)no1)c1ccc(Cl)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
LMNA P02545 4/20 0.49
HTT P42858 3/20 0.49
POLB P06746 2/20 0.49
CYP1A2 P05177 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
JAK2 O60674 1/20 0.47
HPGD P15428 5/20 0.47
TSHR P16473 1/20 0.45
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPT P10636 2/20 0.41
F10 P00742 1/20 0.41
NPC1 O15118 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC3 O15379 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
SCHEMBL1095698 0.91 HPGD (0.53) ALDH1A1SMN1; SMN2LMNAHTTPOLB
SCHEMBL1096907 0.88 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2LMNAHTTPOLB
SCHEMBL1095575 0.87 POLB (0.49) ALDH1A1SMN1; SMN2LMNAHTTPOLB
SCHEMBL1096444 0.86 POLB (0.65) ALDH1A1SMN1; SMN2LMNAHTTPOLB
SCHEMBL1096148 0.85 POLB (0.52) ALDH1A1SMN1; SMN2LMNAHTTPOLB
SCHEMBL1096369 0.85 POLB (0.54) ALDH1A1SMN1; SMN2LMNAHTTPOLB
SCHEMBL1096424 0.85 HPGD (0.58) ALDH1A1SMN1; SMN2LMNAHTTPOLB
SCHEMBL1096147 0.84 ROCK2 (0.52) ALDH1A1SMN1; SMN2LMNAHTTPOLB
SCHEMBL8277511 0.84 POLB (0.53) ALDH1A1SMN1; SMN2LMNAHTTPOLB
SCHEMBL1101073 0.84 POLB (0.56) ALDH1A1SMN1; SMN2LMNAHTTPOLB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 974/4885SMN1; SMN2 4168/4885LMNA 734/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 ALDH1A1 974/4885SMN1; SMN2 4168/4885LMNA 734/4885

“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.