SCHEMBL2362867

SCHEMBL2362867

O=C(O[N+]1(O)C(=O)CCC1=O)c1cccnc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 0.49
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.34
SLC18A3 Q16572 1/20 0.34
ABL1 P00519 1/20 0.34
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.33
PARP1 P09874 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
BLM P54132 1/20 0.33
AGER Q15109 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 2/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL2363693 0.83 LMNA (0.49) ALDH1A1L3MBTL1TDP1KMT2ALMNA
SCHEMBL2363364 0.79 CES2 (0.44) ALDH1A1L3MBTL1NPC1TDP1KMT2A
SCHEMBL2362643 0.73 SMN1; SMN2 (0.46) ALDH1A1L3MBTL1NPC1KMT2AMAPT
SCHEMBL1807364 0.72 NAPRT (0.61) NAPRTALDH1A1TSHRL3MBTL1KDM4E
SCHEMBL1078138 0.71 KMT2A (0.35) ALDH1A1TSHRTDP1KMT2ABLM
SCHEMBL9244299 0.71 AKR1C3 (0.47) ALDH1A1L3MBTL1TDP1MAPTCYP3A4
SCHEMBL3889496 0.69 NAPRT (0.58) NAPRTALDH1A1TSHRL3MBTL1NPC1
SCHEMBL16670077 0.69 CES2 (0.41) NPC1KDM4EKMT2AMAPTCASP3
SCHEMBL29195335 0.69 NAPRT (0.58) NAPRTALDH1A1TSHRL3MBTL1NPC1
SCHEMBL5195785 0.69 CYP3A4 (0.34) ALDH1A1KDM4EMAPTCYP3A4NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US disclosed
US-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 US disclosed
EP-1960518-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-08-27 EP disclosed
WO-2007067559-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-06-14 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 (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-20080293666-A1 Antibacterial Agents MRPL21, ABCB7, MSR1 NAPRT 2841/4885ALDH1A1 1972/4885TSHR 625/4885

“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.