SCHEMBL16015333

SCHEMBL16015333

O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.65
LMNA P02545 4/20 0.65
POLB P06746 3/20 0.65
MEN1 O00255 8/20 0.61
NPC1 O15118 2/20 0.61
MAPT P10636 4/20 0.60
GAA P10253 3/20 0.60
HTT P42858 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
PAX8 Q06710 1/20 0.59
IDO1 P14902 1/20 0.58
RAD52 P43351 1/20 0.58
ALDH1A1 P00352 2/20 0.57
RAB9A P51151 2/20 0.55
RRM1 P23921 1/20 0.55
KLF5 Q13887 1/20 0.55
KDM4E B2RXH2 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HSP90AA1 P07900 1/20 0.55
HPGD P15428 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
SCHEMBL13568965 0.95 KMT2A (0.67) KMT2ALMNAPOLBMEN1NPC1
SCHEMBL12868825 0.89 KMT2A (0.61) KMT2ALMNAPOLBMEN1NPC1
SCHEMBL1175041 0.86 ESRRG (0.60) KMT2ALMNAPOLBMEN1NPC1
SCHEMBL1175043 0.86 ESRRG (0.60) KMT2ALMNAPOLBMEN1NPC1
SCHEMBL12868862 0.86 ESRRG (0.60) KMT2ALMNAPOLBMEN1NPC1
SCHEMBL683715 0.84 MEN1 (0.85) KMT2ALMNAPOLBMEN1NPC1
SCHEMBL2847708 0.84 MEN1 (0.85) KMT2ALMNAPOLBMEN1NPC1
SCHEMBL14611664 0.83 MEN1 (0.63) KMT2ALMNAPOLBMEN1NPC1
SCHEMBL8644743 0.81 KMT2A (0.78) KMT2ALMNAPOLBMEN1MAPT
SCHEMBL16015338 0.80 KMT2A (0.57) KMT2ALMNAPOLBMEN1NPC1

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-9201001-B2 Visual detection of fluoride ions INDIAN INSTITUTE OF TECHNOLOGY MADRAS (IN) 2015-12-01 US disclosed
US-20140357894-A1 VISUAL DETECTION OF FLUORIDE IONS EMPIRE TECHNOLOGY DEVELOPMENT LLC 2014-12-04 US disclosed
US-8828735-B2 Visual detection of fluoride ions INDIAN INSTITUTE OF TECHNOLOGY MADRAS (IN) 2014-09-09 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-20140357894-A1 VISUAL DETECTION OF FLUORIDE IONS HNRNPL, HNRNPLL, ARAF KMT2A 1693/4885LMNA 1059/4885POLB 2715/4885

“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.