SCHEMBL8771579

SCHEMBL8771579

O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2nc3ccc(-c4ccccc4)cc3[nH]2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.59
MMP9 P14780 4/20 0.59
MMP8 P22894 4/20 0.59
MMP13 P45452 4/20 0.59
CHEK2 O96017 4/20 0.59
HPSE Q9Y251 1/20 0.58
SIRT2 Q8IXJ6 1/20 0.58
SIRT1 Q96EB6 1/20 0.58
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
NR2E3 Q9Y5X4 1/20 0.55
DGAT1 O75907 1/20 0.54
ROCK1 Q13464 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL8769918 0.93 CHEK2 (0.59) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL8770373 0.92 CHEK2 (0.56) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL1664497 0.89 HPSE (0.73) MMP2MMP9MMP8MMP13HPSE
SCHEMBL8769876 0.89 CHEK2 (0.63) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL6120607 0.88 HPSE (0.59) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL13836620 0.87 MAPT (0.52) CHEK2SIRT2SIRT1KDM4EALDH1A1
SCHEMBL8770662 0.86 MMP2 (0.60) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL8775352 0.86 KMT2A (0.64) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL6126099 0.85 HPSE (0.57) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL1663993 0.85 HPSE (0.57) MMP2MMP9MMP8MMP13CHEK2

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-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 US disclosed
US-9144557-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2015-09-29 US disclosed
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-09-10 US disclosed
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 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 (3 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-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL MMP2 2911/4885MMP9 4364/4885MMP8 1058/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MMP2 3334/4885MMP9 3464/4885MMP8 412/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MMP2 3334/4885MMP9 3464/4885MMP8 412/4885

“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.