SCHEMBL16089348

SCHEMBL16089348

[15NH2][15N]=C(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.43
TSHR P16473 2/20 0.43
RECQL P46063 2/20 0.43
POLB P06746 2/20 0.43
CYP2C19 P33261 2/20 0.43
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
F12 P00748 1/20 0.43
F7 P08709 1/20 0.43
F3 P13726 1/20 0.43
PKM P14618 1/20 0.43
CYP3A4 P08684 1/20 0.43
PARP1 P09874 1/20 0.43
MAPT P10636 1/20 0.43
PMP22 Q01453 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 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
SCHEMBL1141828 1.00 BLM (0.43) BLMTSHRRECQLPOLBCYP2C19
Iodide SCHEMBL27950655 0.97 BLM (0.42) BLMTSHRRECQLPOLBCYP2C19
SCHEMBL18787394 0.86 KMT2A (0.54) POLBCYP2C19CYP3A4MAPTKMT2A
SCHEMBL9768858 0.86 KMT2A (0.54) POLBCYP2C19CYP3A4MAPTKMT2A
Hydrochloric Acid SCHEMBL9769057 0.84 KMT2A (0.52) POLBCYP2C19CYP3A4MAPTKMT2A
Water SCHEMBL9769054 0.84 KMT2A (0.52) POLBCYP2C19CYP3A4MAPTKMT2A
SCHEMBL10316372 0.82 TSHR (0.50) TSHRGRIN1GRIN2BALDH1A1CES2
SCHEMBL27761221 0.82 TSHR (0.50) TSHRGRIN1GRIN2BALDH1A1CES2
SCHEMBL16476602 0.81 GRIN1 (0.51) F2PKMCYP3A4MAPTHSD17B10
SCHEMBL8494070 0.81 GRIN2B (0.54) TSHRMAPTGRIN1GRIN2BALDH1A1

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-20140275558-A1 PREPARATION OF HALOALKOXYARYLHYDRAZINES AND INTERMEDIATES THEREFROM DOW AGROSCIENCES LLC (US) 2014-09-18 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-20140275558-A1 PREPARATION OF HALOALKOXYARYLHYDRAZINES AND INTERMEDIATES THEREFROM NOTUM, WEE1, DDT BLM 1158/4885TSHR 1011/4885RECQL 2546/4885

“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.