SCHEMBL15326541

SCHEMBL15326541

O=C(Nc1nnn[nH]1)c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
KCNQ3 O43525 2/20 0.52
KCNQ2 O43526 2/20 0.52
KCNE1 P15382 2/20 0.52
KCNQ1 P51787 2/20 0.52
GRM5 P41594 1/20 0.52
KCNQ5 Q9NR82 1/20 0.52
KCNK3 O14649 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51
KCNMA1 Q12791 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
CCNA1 P78396 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL8538465 0.83 ULK1 (0.51) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL12892190 0.83 NT5E (0.57) MEN1KMT2ANPC1RAB9AGRM5
SCHEMBL151398 0.82 NPC1 (0.50) MEN1KMT2ANPC1RAB9AKCNK3
SCHEMBL4552794 0.81 ALPL (0.50) MEN1KMT2ANPC1RAB9AKCNK3
SCHEMBL10790921 0.81 KCNK3 (0.47) MEN1KMT2AKCNK3KCNK9POLB
SCHEMBL13876946 0.80 ALPL (0.40) MEN1KMT2ANPC1RAB9ACCNA2
SCHEMBL12892192 0.80 KDM4E (0.46) KMT2ANPC1RAB9APOLBL3MBTL1
SCHEMBL8773951 0.80 ALPL (0.43) MEN1KMT2AKCNK3KCNK9ALDH1A1
Hydrochloric Acid SCHEMBL29957975 0.80 ALPL (0.49) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL8533619 0.79 KMT2A (0.60) MEN1KMT2ANPC1RAB9AALDH1A1

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-8975288-B2 F2 derivatives as antibacterial agents THE PENN STATE RESEARCH FOUNDATION (US) 2015-03-10 US disclosed
US-8975288-B2 F2 derivatives as antibacterial agents THE PENN STATE RESEARCH FOUNDATION (US) 2015-03-10 US disclosed
US-20140275192-A1 F2 DERIVATIVES AS ANTIBACTERIAL AGENTS THE PENN STATE RESEARCH FOUNDATION 2014-09-18 US disclosed
US-20140275192-A1 F2 DERIVATIVES AS ANTIBACTERIAL AGENTS THE PENN STATE RESEARCH FOUNDATION 2014-09-18 US disclosed
WO-2013154793-A1 F2 DERIVATIVES AS ANTIBACTERIAL AGENTS THE PENN STATE RESEARCH FOUNDATION (US) 2013-10-17 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-20140275192-A1 F2 DERIVATIVES AS ANTIBACTERIAL AGENTS NR2C2, H1-10, NR2F2 MEN1 3641/4885KMT2A 3145/4885NPC1 554/4885

“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.