SCHEMBL4478092

SCHEMBL4478092

O=C1C(NCc2ccncc2)CCCN1c1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ROCK2 O75116 2/20 0.46
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
ALOX12 P18054 1/20 0.43
FNTA P49354 3/20 0.40
FNTB P49356 3/20 0.40
KCNH2 Q12809 1/20 0.40
FPR1 P21462 2/20 0.39
FPR2 P25090 2/20 0.39
PGGT1B P53609 2/20 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
SCHEMBL4490372 0.89 F10 (0.45) F10ALDH1A1SMN1; SMN2ROCK2FNTA
SCHEMBL4479418 0.84 F10 (0.47) F10ROCK2FPR1FPR2
SCHEMBL4478089 0.80 F10 (0.51) F10FPR1FPR2
SCHEMBL4492318 0.80 F10 (0.47) F10ROCK2FPR1FPR2
SCHEMBL4476894 0.78 F10 (0.47) F10ROCK2FPR1FPR2
SCHEMBL5794813 0.78 F10 (0.52) F10FPR1FPR2
SCHEMBL4468906 0.77 F10 (0.41) F10FPR1FPR2
SCHEMBL4490369 0.73 FPR1 (0.50) F10ALDH1A1GAAFPR1FPR2
SCHEMBL4479417 0.73 F10 (0.48) F10SMN1; SMN2MAPTFPR1FPR2
SCHEMBL8326106 0.72 CASP3 (0.47) F10ALDH1A1GAAKCNH2FPR1

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
US-7157470-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US claimed
US-7524863-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-28 US disclosed
US-7157470-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US disclosed
EP-1501798-A4 SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-11-22 EP disclosed
US-20060247243-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors SMALLHEER JOANNE M 2006-11-02 US disclosed
EP-1501798-A2 SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-02 EP disclosed
WO-2004041776-A2 SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-21 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 (1 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-20060247243-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, SPINT2, F5 F10 38/4885ALDH1A1 3570/4885MEN1 901/4885

“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.