SCHEMBL313322

SCHEMBL313322

CN(N)C(=[Se])c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HSP90AA1 P07900 1/20 0.41
RECQL P46063 2/20 0.41
AOC3 Q16853 5/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
F12 P00748 1/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
PKM P14618 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
PARP1 P09874 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL5370648 0.80 ALDH1A1 (0.52) MAPTALDH1A1HSP90AA1RECQLRAB9A
SCHEMBL8421057 0.77 MAPT (0.45) MAPTALDH1A1HSP90AA1RECQLKMT2A
SCHEMBL4047461 0.73 ALDH1A1 (0.40) MAPTALDH1A1HSP90AA1RECQLRAB9A
SCHEMBL437911 0.71 F2 (0.48) MAPTALDH1A1HSP90AA1RECQLAOC3
SCHEMBL312846 0.71 HSD11B1 (0.52) MAPTALDH1A1RECQLRAB9AKMT2A
SCHEMBL429907 0.71 ALDH1A1 (0.67) MAPTALDH1A1HSP90AA1AOC3RAB9A
SCHEMBL21386356 0.71 MEN1 (0.47) MAPTALDH1A1HSP90AA1AOC3RAB9A
Iodide SCHEMBL10428908 0.70 F2 (0.46) MAPTALDH1A1HSP90AA1RECQLAOC3
SCHEMBL3126210 0.70 ALDH1A1 (0.50) MAPTALDH1A1RAB9AKMT2ANPC1
SCHEMBL21690488 0.68 MAPT (0.40) MAPTALDH1A1HSP90AA1RECQLAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8907131-B2 Compounds for treating proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2014-12-09 US disclosed
US-20140031429-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS KOYA KEIZO (US) 2014-01-30 US disclosed
US-8455686-B2 Compounds for treating proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-06-04 US disclosed
US-20120095103-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-04-19 US disclosed
US-8093425-B2 Compounds for treating proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2012-01-10 US disclosed
US-20090023736-A1 Compounds for treating proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2009-01-22 US disclosed
WO-2008136976-A2 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2008-11-13 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 (3 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-20090023736-A1 Compounds for treating proliferative disorders HSP90AB1, HSF1, HSP90B1 MAPT 1817/4885ALDH1A1 690/4885HSP90AA1 6/4885
US-20120095103-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS HSP90AB1, HSF1, HSP90B1 MAPT 1817/4885ALDH1A1 690/4885HSP90AA1 6/4885
US-20140031429-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS HSP90AB1, HSF1, HSP90B1 MAPT 1817/4885ALDH1A1 690/4885HSP90AA1 6/4885

“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.