SCHEMBL17557149

SCHEMBL17557149

CC(=O)Nc1cccc2c3c4c(cccc4cc12)C(=O)N(CCN(C)C)C3=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.55
HEXB P07686 1/20 0.55
FTO Q9C0B1 3/20 0.53
CYP2D6 P10635 1/20 0.53
PABPC1 P11940 3/20 0.49
POLB P06746 4/20 0.47
NR1I2 O75469 1/20 0.47
AHR P35869 1/20 0.47
RAD52 P43351 1/20 0.47
RCE1 Q9Y256 1/20 0.47
TERT O14746 1/20 0.44
PLK1 P53350 6/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
GAA P10253 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
SCHEMBL3296005 0.92 HEXA (0.55) HEXAHEXBFTOCYP2D6PABPC1
SCHEMBL13297972 0.90 HEXA (0.57) HEXAHEXBFTOCYP2D6PABPC1
SCHEMBL3296770 0.88 HEXA (0.51) HEXAHEXBFTOCYP2D6PABPC1
SCHEMBL3296269 0.86 FTO (0.50) HEXAHEXBFTOCYP2D6PABPC1
SCHEMBL3298476 0.86 HEXA (0.48) HEXAHEXBFTOCYP2D6PABPC1
SCHEMBL17557112 0.86 HEXA (0.49) HEXAHEXBFTOCYP2D6PABPC1
SCHEMBL13297963 0.85 FTO (0.49) HEXAHEXBFTOCYP2D6PABPC1
SCHEMBL3295836 0.85 HEXA (0.47) HEXAHEXBFTOCYP2D6PABPC1
SCHEMBL3303913 0.84 FTO (0.47) HEXAHEXBFTOCYP2D6PABPC1
Hydrochloric Acid SCHEMBL3299444 0.84 FTO (0.49) HEXAHEXBFTOCYP2D6PABPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160067241-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS BROWN DENNIS M (US) 2016-03-10 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-20160067241-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS MYC, NME2, TP53 HEXA 710/4885HEXB 744/4885FTO 3395/4885

“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.