SCHEMBL5041734

SCHEMBL5041734

O=C(CN(C(=O)O)C1CCN(C(=O)C(F)(F)F)CC1)Nc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
GAA P10253 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
CYP1A2 P05177 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NOS2 P35228 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRIN2B Q13224 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
CHIT1 Q13231 1/20 0.40

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
SCHEMBL2798209 0.87 LMNA (0.44) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL2797796 0.83 LMNA (0.50) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL2798210 0.83 LMNA (0.41) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL2797619 0.81 NOS2 (0.50) MEN1KMT2AHTTGAATRPV1
SCHEMBL5040129 0.80 LMNA (0.55) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL5040069 0.72 KDM4E (0.43) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL5036916 0.70 OPRM1 (0.45) MEN1KMT2A
SCHEMBL2797620 0.70 CCR5 (0.39) ALDH1A1KDM1A
SCHEMBL2797793 0.69 LMNA (0.48) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL4131965 0.67 KDM1A (0.35) TRPV1CYP1A2KDM1A

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-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 US disclosed
EP-2468743-A1 Nitrogen-containing bicyclic compounds useful as antibacterial agents Toyama Chemical Co., Ltd. (JP) 2012-06-27 EP disclosed
US-20080214708-A1 Asymmetrically substituted phosphinic acids CLARIANT INTERNATIONAL LTD. 2008-09-04 US disclosed
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 EP 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-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 LMNA 2947/4885ALDH1A1 3142/4885MEN1 2461/4885

“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.