SCHEMBL1096499

SCHEMBL1096499

COc1ccc(Oc2cc(C3=NCCN3C)ccc2-c2cc(CNC(=O)c3ccc(Cl)s3)on2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 2/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 2/20 0.40
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
THRB P10828 1/20 0.34
KDM4E B2RXH2 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
F10 P00742 1/20 0.34
EPHX2 P34913 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
SCHEMBL1096276 0.94 ALDH1A1 (0.36) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL1096689 0.93 ALDH1A1 (0.40) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL1097406 0.88 POLB (0.36) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL1096802 0.88 LMNA (0.38) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL1097839 0.85 POLB (0.38) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL1095892 0.84 POLB (0.38) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL1097064 0.84 POLB (0.47) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL1096633 0.84 POLB (0.37) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL1095584 0.82 F10 (0.42) ALDH1A1MAPTLMNAPOLBF10
SCHEMBL1096660 0.81 ALDH1A1 (0.40) ALDH1A1MAPTHTTLMNASMN1; SMN2

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
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

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 974/4885MAPT 3722/4885HTT 3109/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 ALDH1A1 974/4885MAPT 3722/4885HTT 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.