SCHEMBL13587714

SCHEMBL13587714

N#Cc1ccc(N=[N+]=[N-])c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.34
▸ KIF11 P52732 1/20 0.33
▸ EGLN2 Q96KS0 5/20 0.33
▸ CYP11B1 P15538 3/20 0.32
▸ CYP11B2 P19099 2/20 0.32
▸ VCAM1 P19320 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CYP17A1 P05093 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ SLC22A12 Q96S37 1/20 0.30
▸ IMPDH2 P12268 1/20 0.30
▸ IMPDH1 P20839 1/20 0.30
▸ CYP2A6 P11509 1/20 0.30

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
SCHEMBL31663121 0.79 CYP2A6 (0.38) SLC6A4EGLN2CYP11B1CYP11B2CYP2A6
SCHEMBL12144769 0.76 KIF11 (0.36) KIF11EGLN2CYP11B1CYP11B2VCAM1
SCHEMBL14159424 0.75 ALDH1A1 (0.38) —
SCHEMBL29408015 0.75 ALDH1A1 (0.38) —
SCHEMBL27527095 0.75 CYP2A6 (0.39) SLC6A4EGLN2CYP2A6
SCHEMBL1124701 0.73 CYP3A4 (0.36) KIF11EGLN2CYP11B1CYP11B2MEN1
SCHEMBL11554956 0.73 KIF11 (0.34) SLC6A4KIF11EGLN2CYP11B1CYP11B2
SCHEMBL16845848 0.72 NFE2L2 (0.33) MEN1KMT2ACYP2A6
SCHEMBL22683536 0.72 ESR1 (0.37) —
SCHEMBL26618043 0.72 DGAT1 (0.36) —

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 SLC6A4 1997/4885KIF11 3239/4885EGLN2 451/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 SLC6A4 1997/4885KIF11 3239/4885EGLN2 451/4885

“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.

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