SCHEMBL13799

SCHEMBL13799

O=c1nc2[nH]c3ccccc3c2cn1C1CNC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.41
ALDH1A1 P00352 8/20 0.37
HSD17B10 Q99714 7/20 0.37
KDM4E B2RXH2 6/20 0.37
LMNA P02545 4/20 0.37
CYP1A2 P05177 4/20 0.37
PARP1 P09874 3/20 0.37
GPR3 P46089 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
BLM P54132 2/20 0.37
PMP22 Q01453 2/20 0.37
TNKS O95271 1/20 0.37
PARP15 Q460N3 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
TSHR P16473 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
POLB P06746 3/20 0.36

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
SCHEMBL7601 0.90 HTR6 (0.43) CA5AALDH1A1HSD17B10KDM4ETSHR
SCHEMBL13800 0.90 HTR6 (0.43) CA5AALDH1A1HSD17B10KDM4ETSHR
SCHEMBL7550 0.75 PDE5A (0.34) CA5AALDH1A1HSD17B10KDM4ELMNA
SCHEMBL13395617 0.75 CA5A (0.50) CA5AALDH1A1HSD17B10KDM4ELMNA
SCHEMBL14077 0.75 SLC6A4 (0.47) PARP1MEN1KMT2ACYP2C9
SCHEMBL12061561 0.74 SLC6A4 (0.43) CA5APARP1MEN1KMT2ACYP2C9
SCHEMBL12062415 0.73 CHRM1 (0.48) ALDH1A1HSD17B10KDM4EPMP22TSHR
SCHEMBL23841188 0.71 CA5A (0.43) CA5AALDH1A1HSD17B10KDM4ELMNA
SCHEMBL1104588 0.71 ALDH1A1 (0.43) CA5AALDH1A1HSD17B10KDM4ELMNA
SCHEMBL30756685 0.64 CA5A (0.47) CA5AALDH1A1HSD17B10KDM4ELMNA

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 CA5A 1655/4885ALDH1A1 1117/4885HSD17B10 1504/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT CA5A 1655/4885ALDH1A1 1117/4885HSD17B10 1504/4885

“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.