SCHEMBL3007803

SCHEMBL3007803

COC(=O)c1ccc(N2CCN(c3ccc(CN4CCOCC4)cc3)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.72
MAPK1 P28482 2/20 0.72
KMT2A Q03164 1/20 0.60
TSHR P16473 2/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
STAT3 P40763 1/20 0.58
RAB9A P51151 1/20 0.58
HIF1A Q16665 1/20 0.57
EPAS1 Q99814 1/20 0.57
KDM4E B2RXH2 1/20 0.55
HRH3 Q9Y5N1 1/20 0.54
CHKA P35790 1/20 0.54
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
ALOX15 P16050 1/20 0.53
MGLL Q99685 1/20 0.53
HSD17B10 Q99714 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
SCHEMBL171628 0.93 SMN1; SMN2 (0.81) SMN1; SMN2MAPK1KMT2ATSHRLMNA
SCHEMBL3002785 0.89 SMN1; SMN2 (0.75) SMN1; SMN2MAPK1KMT2ATSHRLMNA
SCHEMBL3018619 0.89 SMN1; SMN2 (0.61) SMN1; SMN2MAPK1KMT2ATSHRLMNA
SCHEMBL3019038 0.89 SMN1; SMN2 (0.61) SMN1; SMN2MAPK1KMT2ATSHRLMNA
SCHEMBL10901062 0.87 MAPT (0.69) SMN1; SMN2MAPK1KMT2ATSHRMAPT
SCHEMBL13266918 0.86 SMN1; SMN2 (0.70) SMN1; SMN2MAPK1KMT2ATSHRLMNA
SCHEMBL254974 0.86 MAPK1 (0.70) SMN1; SMN2MAPK1KMT2ATSHRLMNA
SCHEMBL3019821 0.86 SMN1; SMN2 (0.70) SMN1; SMN2MAPK1KMT2ATSHRLMNA
SCHEMBL21471424 0.86 CHKA (0.56) SMN1; SMN2MAPK1KMT2ATSHRLMNA
SCHEMBL4653292 0.85 MAPT (0.66) SMN1; SMN2MAPK1KMT2ATSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 US disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
EP-2170814-A2 ANTIBACTERIAL AGENTS Achaogen, Inc. (US) 2010-04-07 EP disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 WO disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 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 (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-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 SMN1; SMN2 2202/4885MAPK1 2069/4885KMT2A 4779/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 SMN1; SMN2 2202/4885MAPK1 2069/4885KMT2A 4779/4885

“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.