SCHEMBL17354487

SCHEMBL17354487

CNC(=O)Nc1ccccc1OCCNC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.61
MTNR1B P49286 3/20 0.61
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
HPGD P15428 1/20 0.57
FOLH1 Q04609 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.51
RECQL P46063 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 2/20 0.50
BRD4 O60885 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 2/20 0.47

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
SCHEMBL13643 0.88 ALDH1A1 (0.54) MTNR1AMTNR1BALDH1A1FOLH1SMN1; SMN2
SCHEMBL13649 0.86 MTNR1A (0.68) MTNR1AMTNR1BALDH1A1KDM4EHPGD
SCHEMBL14850269 0.85 MTNR1A (0.57) MTNR1AMTNR1BALDH1A1KDM4EHPGD
SCHEMBL14853494 0.81 SMN1; SMN2 (0.56) ALDH1A1KDM4ESMN1; SMN2RECQLNPC1
SCHEMBL17354494 0.81 SMN1; SMN2 (0.59) ALDH1A1KDM4ESMN1; SMN2RECQLNPC1
SCHEMBL14853257 0.80 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2RECQLNPC1
SCHEMBL14853420 0.79 CYP2C19 (0.55) ALDH1A1FOLH1SMN1; SMN2RECQLNPC1
SCHEMBL17354497 0.78 CACNA1H (0.54) ALDH1A1KDM4ESMN1; SMN2RECQLNPC1
SCHEMBL11546122 0.77 LMNA (0.75) ALDH1A1KDM4EHPGDSMN1; SMN2NPC1
SCHEMBL16063125 0.76 MTNR1A (0.71) MTNR1AMTNR1BALDH1A1KDM4EHPGD

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT MTNR1A 2260/4885MTNR1B 2351/4885ALDH1A1 1117/4885

“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.