SCHEMBL8218258

SCHEMBL8218258

O=C(NCCCCl)[C@H](O)[C@@H](O)C(=O)Nc1ccc(-n2cccn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.45
NAMPT P43490 2/20 0.42
ADAM10 O14672 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41
ADAM17 P78536 1/20 0.41
F10 P00742 1/20 0.41
KMT2A Q03164 2/20 0.39
TBK1 Q9UHD2 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NOTUM Q6P988 1/20 0.39
TP53 P04637 1/20 0.39
TNIK Q9UKE5 2/20 0.38
CXCR4 P61073 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 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
SCHEMBL8212390 0.81 TP53 (0.47) GCGRNAMPTADAM17F10KMT2A
SCHEMBL8216093 0.77 MGLL (0.44) GCGRNAMPTADAM17F10KMT2A
SCHEMBL16357674 0.77 MGLL (0.44) GCGRNAMPTADAM17F10KMT2A
SCHEMBL8418452 0.76 ALDH1A1 (0.54) KMT2ANPC1RAB9AMAPTPOLB
SCHEMBL8215692 0.75 RAB9A (0.55) KMT2ANPC1RAB9AMAPTPOLB
SCHEMBL8212426 0.75 ADAM17 (0.48) ADAM10MMP2MMP3MMP7MMP9
SCHEMBL28826710 0.74 RXFP1 (0.46) NAMPTF10KMT2ATBK1RXFP1
SCHEMBL8212458 0.74 EP300 (0.48) KMT2ANPC1RAB9AMAPT
SCHEMBL8212572 0.73 RAB9A (0.45) KMT2ANPC1RAB9AMAPTPOLB
SCHEMBL8218365 0.73 RNF4 (0.57) KMT2ANPC1RAB9AMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7553864-B2 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION (US) 2009-06-30 US disclosed
US-7553864-B2 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION (US) 2009-06-30 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-06-07 US disclosed
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-06-07 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 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 (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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 GCGR 2578/4885NAMPT 537/4885ADAM10 9/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF GCGR 2164/4885NAMPT 451/4885ADAM10 13/4885
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, PCSK9, ALPI GCGR 2339/4885NAMPT 691/4885ADAM10 16/4885

“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.