SCHEMBL16596182

SCHEMBL16596182

CCCCCCCCCCCCNC(=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.70
LMNA P02545 1/20 0.58
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
HPGD P15428 1/20 0.58
HSD17B10 Q99714 1/20 0.58
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TERT O14746 1/20 0.55

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
SCHEMBL18229460 1.00 MTNR1A (0.70) MTNR1ALMNAALDH1A1KDM4EHPGD
SCHEMBL3667317 0.99 MTNR1A (0.68) MTNR1ALMNAALDH1A1KDM4EHPGD
SCHEMBL7974076 0.90 LMNA (0.61) MTNR1ALMNAALDH1A1KMT2AMEN1
SCHEMBL10272692 0.89 MTNR1A (0.64) MTNR1ALMNAALDH1A1KDM4EHPGD
SCHEMBL27099051 0.88 MTNR1A (0.82) MTNR1ALMNAALDH1A1KMT2AMEN1
SCHEMBL7970603 0.87 LMNA (0.61) MTNR1ALMNAALDH1A1KMT2AMEN1
SCHEMBL7976825 0.86 SMN1; SMN2 (0.71) MTNR1ALMNAALDH1A1KDM4EHPGD
SCHEMBL27099048 0.86 MTNR1A (0.80) MTNR1ALMNAALDH1A1HPGDKMT2A
SCHEMBL9797755 0.86 LMNA (0.63) LMNAALDH1A1KMT2AMEN1GAA
SCHEMBL1231511 0.85 MTNR1A (0.58) MTNR1ALMNAALDH1A1KMT2AMEN1

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-9751851-B2 Molecules and compositions that inhibit gram negative bacteria and their uses THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-05 US disclosed
US-20160368892-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-12-22 US disclosed
WO-2015042363-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-03-26 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 (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-20160368892-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES BLVRB, PGLS, GRHPR MTNR1A 1405/4885LMNA 4678/4885ALDH1A1 4735/4885

“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.