SCHEMBL18136600

SCHEMBL18136600

O=C(Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)ccc1F)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIMP3 P35625 4/20 0.73
KMT2A Q03164 8/20 0.60
TDP1 Q9NUW8 6/20 0.60
MEN1 O00255 5/20 0.60
RECQL P46063 5/20 0.60
HSD17B10 Q99714 5/20 0.60
ALDH1A1 P00352 3/20 0.60
USP2 O75604 2/20 0.60
MAPT P10636 5/20 0.58
HPSE Q9Y251 4/20 0.58
P2RX1 P51575 4/20 0.58
P2RX3 P56373 4/20 0.58
PKM P14618 4/20 0.58
P2RY11 Q96G91 3/20 0.58
BRCA1 P38398 2/20 0.58
SIRT2 Q8IXJ6 2/20 0.58
SIRT1 Q96EB6 2/20 0.58
ENPP3 O14638 1/20 0.58
ENTPD3 O75355 1/20 0.58
NR1I2 O75469 1/20 0.58

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
SCHEMBL30388456 0.93 KMT2A (0.69) TIMP3KMT2ATDP1MEN1RECQL
SCHEMBL7613478 0.93 KMT2A (0.69) TIMP3KMT2ATDP1MEN1RECQL
SCHEMBL6362876 0.89 KMT2A (0.73) TIMP3KMT2ATDP1MEN1RECQL
SCHEMBL30388503 0.88 KMT2A (0.75) TIMP3KMT2ATDP1MEN1RECQL
SCHEMBL17903244 0.88 HPSE (0.59) TIMP3KMT2ATDP1MEN1RECQL
SCHEMBL18134573 0.86 CD40 (0.61) TIMP3KMT2ATDP1MEN1ALDH1A1
SCHEMBL18136595 0.85 TIMP3 (0.78) TIMP3KMT2ATDP1MEN1RECQL
SCHEMBL10413406 0.85 MEN1 (0.58) TIMP3KMT2ATDP1MEN1RECQL
SCHEMBL17903278 0.85 P2RY11 (0.60) TIMP3KMT2ATDP1MEN1RECQL
SCHEMBL3360329 0.84 TIMP3 (1.00) TIMP3KMT2ATDP1MEN1RECQL

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-20160296523-A1 Sirtuin Modulators as Inhibitors of Cytomegalovirus THE TRUSTEES OF PRINCETON UNIVERSITY 2016-10-13 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-20160296523-A1 Sirtuin Modulators as Inhibitors of Cytomegalovirus SIRT1, SIRT2, SIRT7 TIMP3 636/4885KMT2A 632/4885TDP1 1937/4885

“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.