SCHEMBL1158490

SCHEMBL1158490

N#Cc1ccc(-c2nc(CN)co2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.47
LOXL2 Q9Y4K0 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GSK3B P49841 1/20 0.36
NSD2 O96028 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
MMP13 P45452 2/20 0.36

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
SCHEMBL2225654 0.88 NOTUM (0.45) NOTUMLOXL2MAOAMAOBCA1
SCHEMBL10313028 0.85 NOTUM (0.49) NOTUMMAOAMAOBCA1CA2
SCHEMBL5760029 0.84 NOTUM (0.47) NOTUMMAOAMAOBCA1CA2
SCHEMBL1157995 0.84 NOTUM (0.47) NOTUMMAOAMAOBCA1CA2
SCHEMBL28938174 0.78 HDAC1 (0.46) NOTUMNPC1LMNAMAPTMAPK1
SCHEMBL1543126 0.78 LMNA (0.52) NOTUMLOXL2NPC1LMNAMAPT
SCHEMBL3126496 0.78 DRD2 (0.54) NOTUMLMNADRD2DRD4DRD3
SCHEMBL13587711 0.77 NOTUM (0.41) NOTUMMAOAMAOBCA1CA2
Hydrochloric Acid SCHEMBL21879627 0.76 DRD2 (0.53) NOTUMLMNADRD2DRD4DRD3
SCHEMBL1106588 0.74 LMNA (0.39) NPC1LMNAMAPTMAPK1RAB9A

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 7 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-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
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 NOTUM 578/4885LOXL2 1659/4885MAOA 320/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 NOTUM 578/4885LOXL2 1659/4885MAOA 320/4885

“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.