SCHEMBL8226375

SCHEMBL8226375

Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccccn4)n4ncc(F)c4n3)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.45
HPGD P15428 5/20 0.45
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 5/20 0.45
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADORA2A P29274 7/20 0.41
ADORA1 P30542 6/20 0.41
GLA P06280 1/20 0.40
RUNX1 Q01196 1/20 0.40
CBFB Q13951 1/20 0.40
PKM P14618 1/20 0.40
ADAMTS4 O75173 1/20 0.40

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
SCHEMBL8226363 0.92 MMP13 (0.41) HSD17B10HPGDKDM4EALDH1A1NPC1
SCHEMBL10163488 0.91 MMP13 (0.44) HPGDKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL8226356 0.91 MMP13 (0.40) HSD17B10HPGDKDM4EALDH1A1RAB9A
SCHEMBL8229798 0.90 MMP13 (0.41) HSD17B10HPGDKDM4EALDH1A1TP53
SCHEMBL10163484 0.89 MMP13 (0.43) HSD17B10HPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL10163511 0.89 TP53 (0.46) HPGDKDM4EALDH1A1NPC1RAB9A
SCHEMBL8226281 0.89 MMP13 (0.42) HSD17B10HPGDALDH1A1SMN1; SMN2TP53
SCHEMBL8225565 0.89 TP53 (0.43) SMN1; SMN2TP53ADAMTS4MMP3MMP13
SCHEMBL8221168 0.89 MMP13 (0.43) HSD17B10HPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL8225568 0.88 MMP13 (0.43) TP53ADORA2AADORA1ADAMTS4MMP3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
WO-2007139856-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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 (4 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 HSD17B10 501/4885HPGD 313/4885KDM4E 2058/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 HSD17B10 501/4885HPGD 313/4885KDM4E 2058/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 HSD17B10 501/4885HPGD 313/4885KDM4E 2058/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 HSD17B10 501/4885HPGD 313/4885KDM4E 2058/4885

“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.