SCHEMBL4150498

SCHEMBL4150498

C=C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O)C1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 16/20 0.77
HIF1A Q16665 1/20 0.68
TMEM97 Q5BJF2 1/20 0.68
SIGMAR1 Q99720 1/20 0.68
DPP4 P27487 1/20 0.66
MEN1 O00255 1/20 0.66
SLC28A1 O00337 1/20 0.66
MAP3K7 O43318 1/20 0.66
SLC28A2 O43868 1/20 0.66
GAPDH P04406 1/20 0.66
ADORA3 P0DMS8 1/20 0.66
MAPK1 P28482 1/20 0.66
ADORA2A P29274 1/20 0.66
ADORA2B P29275 1/20 0.66
ADORA1 P30542 1/20 0.66
STAT6 P42226 1/20 0.66
PI4KA P42356 1/20 0.66
KMT2A Q03164 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
PI4K2B Q8TCG2 1/20 0.66

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
SCHEMBL14304652 1.00 AHCY (0.77) AHCYHIF1ATMEM97SIGMAR1DPP4
SCHEMBL4150492 1.00 AHCY (0.77) AHCYHIF1ATMEM97SIGMAR1DPP4
SCHEMBL3366600 0.88 AHCY (0.79) AHCYHIF1ATMEM97SIGMAR1DPP4
SCHEMBL536023 0.88 AHCY (0.79) AHCYHIF1ATMEM97SIGMAR1DPP4
SCHEMBL24371469 0.87 ADORA3 (0.64) AHCYHIF1ATMEM97SIGMAR1ADORA3
SCHEMBL4776904 0.87 AHCY (1.00) AHCYHIF1ATMEM97SIGMAR1DPP4
SCHEMBL9282755 0.87 AHCY (0.77) AHCYHIF1ATMEM97SIGMAR1DPP4
SCHEMBL4868251 0.85 AHCY (0.77) AHCYHIF1ATMEM97SIGMAR1DPP4
SCHEMBL4867325 0.85 AHCY (0.77) AHCYHIF1ATMEM97SIGMAR1DPP4
SCHEMBL4867300 0.85 AHCY (0.77) AHCYHIF1ATMEM97SIGMAR1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946188-B2 Anti-microbial agents and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2015-02-03 US disclosed
US-20140024611-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-01-23 US disclosed
US-8461128-B2 Anti-microbial agents and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-06-11 US disclosed
US-20090170805-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-07-02 US disclosed
WO-2006113615-A2 ANTI-MICROBIAL AGENTS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2006-10-26 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 (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-20140024611-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF ACAT1, ACAT2, APEH AHCY 30/4885HIF1A 4061/4885TMEM97 4404/4885
US-20090170805-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF ACAT1, ACAT2, APEH AHCY 30/4885HIF1A 4061/4885TMEM97 4404/4885

“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.