SCHEMBL1106591

SCHEMBL1106591

[C-]#[N+]c1ccc(-c2nc(CCl)cs2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.66
RAB9A P51151 4/20 0.60
NPC1 O15118 3/20 0.60
POLB P06746 1/20 0.60
GAA P10253 1/20 0.60
KDM4E B2RXH2 8/20 0.57
ALDH1A1 P00352 8/20 0.57
TDP1 Q9NUW8 5/20 0.57
MAPT P10636 4/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 3/20 0.46
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
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
SCHEMBL1106592 0.84 GFER (0.45) GFERRAB9ANPC1POLBGAA
SCHEMBL203617 0.80 GFER (1.00) GFERRAB9ANPC1POLBGAA
SCHEMBL201539 0.78 GFER (0.72) GFERRAB9ANPC1POLBGAA
SCHEMBL19031390 0.78 GFER (0.72) GFERRAB9ANPC1POLBGAA
SCHEMBL19031364 0.78 GFER (0.72) GFERRAB9ANPC1POLBGAA
SCHEMBL201736 0.78 GFER (0.72) GFERRAB9ANPC1POLBGAA
SCHEMBL2706140 0.78 GFER (0.72) GFERRAB9ANPC1POLBGAA
SCHEMBL5385321 0.78 GFER (0.71) GFERRAB9ANPC1POLBGAA
SCHEMBL118764 0.78 GFER (0.71) GFERRAB9ANPC1POLBGAA
SCHEMBL28842593 0.78 GFER (0.71) GFERRAB9ANPC1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 GFER 1376/4885RAB9A 2543/4885NPC1 887/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 GFER 1376/4885RAB9A 2543/4885NPC1 887/4885

“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.