SCHEMBL5040129

SCHEMBL5040129

O=C(CN(C(=O)O)C1CCNCC1)Nc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
ALDH1A1 P00352 3/20 0.53
GAA P10253 2/20 0.51
CYP1A2 P05177 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45

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
SCHEMBL2797793 0.85 LMNA (0.48) LMNAALDH1A1GAACYP1A2HSD17B10
SCHEMBL2797796 0.82 LMNA (0.50) LMNAALDH1A1GAACYP1A2HSD17B10
SCHEMBL5041734 0.80 LMNA (0.48) LMNAALDH1A1GAACYP1A2HSD17B10
SCHEMBL5040069 0.75 KDM4E (0.43) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL2475102 0.74 RAB9A (0.56) LMNAALDH1A1GAANPC1RAB9A
Hydrochloric Acid SCHEMBL27396506 0.73 RAB9A (0.55) LMNAALDH1A1GAANPC1RAB9A
SCHEMBL655812 0.71 MEN1 (0.64) LMNAALDH1A1GAAHSD17B10NPC1
SCHEMBL8808280 0.71 SMN1; SMN2 (0.53) LMNAALDH1A1GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL1309126 0.70 MEN1 (0.63) LMNAALDH1A1GAAHSD17B10NPC1
Hydrochloric Acid SCHEMBL5182681 0.70 MEN1 (0.63) LMNAALDH1A1GAAHSD17B10NPC1

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-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
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 3142/4885GAA 1357/4885

“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.