SCHEMBL14388

SCHEMBL14388

CN(Cc1ccccc1)Cc1cc2cn(-c3ccc(CNCCCNC(=N)N)cc3)c(=O)nc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.36
SIGMAR1 Q99720 4/20 0.36
OPRM1 P35372 3/20 0.34
ACKR3 P25106 2/20 0.34
OPRK1 P41145 2/20 0.34
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
ACHE P22303 2/20 0.33
BCHE P06276 1/20 0.33
METTL3 Q86U44 1/20 0.32
HASPIN Q8TF76 1/20 0.32
TSHR P16473 3/20 0.31
LMNA P02545 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL14540 0.88 TMEM97 (0.39) TMEM97SIGMAR1ALDH1A1ACHEHASPIN
SCHEMBL12075212 0.86 OPRM1 (0.31) OPRM1OPRK1MEN1KMT2A
SCHEMBL13924 0.84 BCHE (0.35) OPRM1OPRK1ALDH1A1ACHEBCHE
SCHEMBL20082378 0.83
SCHEMBL20019774 0.83
SCHEMBL14447 0.82 KIT (0.36) ACKR3ALDH1A1ACHEBCHESMN1; SMN2
SCHEMBL14145 0.82 MAPT (0.31) OPRM1OPRK1ALDH1A1KDM4EACHE
SCHEMBL12062115 0.82 SLC2A1 (0.31)
SCHEMBL20019754 0.81 PARP1 (0.32) OPRM1OPRK1ACHEBCHE
SCHEMBL20019825 0.81 PARP1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 US disclosed
WO-2011047319-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X 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 (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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT TMEM97 4630/4885SIGMAR1 3381/4885OPRM1 3451/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT TMEM97 4630/4885SIGMAR1 3381/4885OPRM1 3451/4885

“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.