SCHEMBL18289166

SCHEMBL18289166

CCCN(CCCN(CCCN(CCC)c1c(CC)cccc1CC)c1ccccc1CC)c1ccccc1CC

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.35
ESR1 P03372 2/20 0.35
NR1I2 O75469 1/20 0.34
CRHR1 P34998 4/20 0.33
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH3A1 P30838 2/20 0.33
ALDH1A3 P47895 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR1A P08908 1/20 0.33
TP53 P04637 1/20 0.32
MGLL Q99685 1/20 0.32
NPY2R P49146 1/20 0.32
HTR7 P34969 1/20 0.32

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
SCHEMBL18289179 1.00 ELANE (0.35) ELANEESR1NR1I2CRHR1GABRA1
SCHEMBL18289117 0.95 ELANE (0.35) ELANEESR1NR1I2CRHR1GABRA1
SCHEMBL18289153 0.94 ALDH1A1 (0.37) ELANEESR1CRHR1MEN1KMT2A
SCHEMBL20202898 0.89 CRHR1 (0.34) ELANEESR1NR1I2CRHR1GABRA1
SCHEMBL18590937 0.89 AR (0.34) ELANEESR1NR1I2CRHR1GABRA1
SCHEMBL18600300 0.86 ELANE (0.41) ELANECRHR1MEN1KMT2ATDP1
SCHEMBL30462984 0.86 HTR1A (0.40) ESR1CRHR1GABRA1GABRB2ALDH3A1
SCHEMBL17307678 0.85 ALDH1A1 (0.41) ELANEALDH1A1TP53NPY2R
SCHEMBL20202886 0.85 ALDH1A1 (0.40) ELANETDP1ALDH3A1ALDH1A3ALDH1A1
SCHEMBL24985296 0.84 GABRA1 (0.44) ELANEESR1NR1I2CRHR1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9879039-B2 Tetradentate and octahedral metal complexes containing naphthyridinocarbazole and its analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-01-30 US disclosed
US-20160359125-A1 TETRADENTATE AND OCTAHEDRAL METAL COMPLEXES CONTAINING NAPHTHYRIDINOCARBAZOLE AND ITS ANALOGUES ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2016-12-08 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-20160359125-A1 TETRADENTATE AND OCTAHEDRAL METAL COMPLEXES CONTAINING NAPHTHYRIDINOCARBAZOLE AND ITS ANALOGUES PAICS, DNTT, PNPO ELANE 1761/4885ESR1 2420/4885NR1I2 1311/4885

“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.