SCHEMBL17899115

SCHEMBL17899115

O=C(NCCN1CCNCC1)c1c(O)c2ccccc2[nH]c1=O

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.80
LMNA P02545 2/20 0.80
MAPT P10636 2/20 0.80
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
NPC1 O15118 5/20 0.63
RAB9A P51151 5/20 0.63
PKM P14618 1/20 0.63
USP2 O75604 1/20 0.60
RXFP1 Q9HBX9 2/20 0.60
ALDH1A1 P00352 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 1/20 0.54
NLRP3 Q96P20 1/20 0.52
GAA P10253 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL13598000 0.88 KDM4E (0.88) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL13598042 0.78 USP2 (0.76) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL13598035 0.77 KMT2A (1.00) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL13598044 0.76 KDM4E (0.70) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL13598037 0.76 USP2 (0.98) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL16426639 0.76 KDM4E (0.79) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL821620 0.75 KMT2A (0.76) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL13598032 0.75 KMT2A (1.00) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL17899111 0.75 KDM4E (0.68) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL22639786 0.75 USP2 (1.00) KDM4ELMNAMAPTMEN1KMT2A

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-10266527-B2 T-box riboswitch-binding anti-bacterial compounds THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF ALBANY (US) 2019-04-23 US disclosed
US-20160194317-A1 T-BOX RIBOSWITCH-BINDING ANTI-BACTERIAL COMPOUNDS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2016-07-07 US disclosed
US-20160194317-A1 T-BOX RIBOSWITCH-BINDING ANTI-BACTERIAL COMPOUNDS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2016-07-07 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 (2 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-10266527-B2 T-box riboswitch-binding anti-bacterial compounds TARBP1, AARS1, NSUN3 KDM4E 2123/4885LMNA 4231/4885MAPT 4117/4885
US-20160194317-A1 T-BOX RIBOSWITCH-BINDING ANTI-BACTERIAL COMPOUNDS TARBP1, AARS1, NSUN3 KDM4E 2123/4885LMNA 4231/4885MAPT 4117/4885

“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.