SCHEMBL13643

SCHEMBL13643

CNC(=O)Nc1ccccc1OCCNC(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
RECQL P46063 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
LMNA P02545 3/20 0.48
PKM P14618 2/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
NLRP1 Q9C000 1/20 0.48
POLB P06746 1/20 0.47
KMT2A Q03164 4/20 0.46
GAA P10253 3/20 0.45
FOLH1 Q04609 1/20 0.44
MEN1 O00255 2/20 0.44
MCL1 Q07820 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL13721 0.89 MTNR1A (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AMTNR1A
SCHEMBL17354487 0.88 MTNR1A (0.61) ALDH1A1RECQLSMN1; SMN2NPC1RAB9A
SCHEMBL14850267 0.86 RAB9A (0.47) ALDH1A1SMN1; SMN2NPC1RAB9AMTNR1A
SCHEMBL14853257 0.82 ALDH1A1 (0.54) ALDH1A1RECQLSMN1; SMN2NPC1RAB9A
SCHEMBL13649 0.82 MTNR1A (0.68) ALDH1A1SMN1; SMN2NPC1RAB9AMTNR1A
SCHEMBL14853494 0.80 SMN1; SMN2 (0.56) ALDH1A1RECQLSMN1; SMN2NPC1RAB9A
SCHEMBL13671 0.80 NPC1 (0.49) ALDH1A1RECQLSMN1; SMN2NPC1RAB9A
SCHEMBL14853466 0.80 LMNA (0.50) ALDH1A1RECQLSMN1; SMN2NPC1RAB9A
SCHEMBL31483032 0.78 MTNR1A (0.77) SMN1; SMN2NPC1RAB9AMTNR1AMTNR1B
SCHEMBL14853420 0.78 CYP2C19 (0.55) ALDH1A1RECQLSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 US disclosed
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 US disclosed
WO-2011047323-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-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT ALDH1A1 1117/4885RECQL 1967/4885SMN1; SMN2 3979/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT ALDH1A1 1117/4885RECQL 1967/4885SMN1; SMN2 3979/4885

“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.