SCHEMBL1106583

SCHEMBL1106583

[C-]#[N+]c1ccc(-c2noc(CNC(=O)OC(C)(C)C)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
KMT2A Q03164 3/20 0.47
ACACB O00763 1/20 0.46
TP53 P04637 3/20 0.45
MEN1 O00255 2/20 0.44
THRB P10828 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL14679174 0.86 MAPT (0.66) MAPTKMT2AACACBTP53ALDH1A1
SCHEMBL4516428 0.84 GPR119 (0.53) MAPTKMT2AACACBTP53MEN1
SCHEMBL29471397 0.83 MAPT (0.61) MAPTKMT2ATP53SMN1; SMN2
SCHEMBL8279808 0.82 MAPT (0.50) MAPTKMT2AACACBTP53MEN1
SCHEMBL16375378 0.82 MAPT (0.52) MAPTKMT2AACACBTP53MEN1
SCHEMBL29496341 0.79 SPHK1 (0.55) MAPTKMT2AALDH1A1
SCHEMBL14757479 0.76 MAPT (0.55) MAPTKMT2ATP53THRBALDH1A1
SCHEMBL21702518 0.75 NAMPT (0.48) MAPTACACBTP53ALDH1A1LMNA
SCHEMBL14679175 0.75 MAPT (0.58) MAPTKMT2ATP53MEN1ALDH1A1
SCHEMBL22637957 0.74 KCNT1 (0.46) MAPTKMT2A

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 MAPT 3722/4885KMT2A 3673/4885ACACB 2406/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 MAPT 3722/4885KMT2A 3673/4885ACACB 2406/4885

“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.