SCHEMBL1106592

SCHEMBL1106592

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.45
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 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
SCHEMBL1106591 0.84 GFER (0.66) GFERRAB9ANPC1GAAPOLB
SCHEMBL3820711 0.78 GFER (0.72) GFERRAB9ANPC1GAAPOLB
SCHEMBL28938187 0.78 LMNA (0.52) GFERRAB9ANPC1GAAPOLB
SCHEMBL590109 0.78 KDM4E (0.62) GFERRAB9ANPC1GAAKDM4E
SCHEMBL22221787 0.77 RAB9A (0.69) GFERRAB9ANPC1GAAPOLB
Hydrochloric Acid SCHEMBL1534420 0.77 GFER (0.70) GFERRAB9ANPC1GAAPOLB
SCHEMBL10282494 0.74 CDC25A (0.50) GFERRAB9ANPC1GAAPOLB
SCHEMBL7895624 0.74 LMNA (0.51) GFERPOLBKDM4ELMNAMAPT
Hydrochloric Acid SCHEMBL16210506 0.73 LMNA (0.50) POLBKDM4ELMNAMAPTSMN1; SMN2
SCHEMBL28938184 0.72 GFER (0.62) GFERRAB9ANPC1GAAPOLB

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.