SCHEMBL5041916

SCHEMBL5041916

O=C(O)Cn1c(=O)cc(OCc2ccccc2)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
MAPT P10636 2/20 0.60
PKM P14618 1/20 0.60
KDM4E B2RXH2 4/20 0.59
GLA P06280 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 3/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 2/20 0.46
POLB P06746 1/20 0.46
APEX1 P27695 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
SCHEMBL11999986 0.86 KDM4E (0.67) ALDH1A1MAPTPKMKDM4ESMN1; SMN2
SCHEMBL2793723 0.84 ALDH1A1 (0.53) ALDH1A1MAPTPKMKDM4EGLA
SCHEMBL5040366 0.82 KDM4E (0.68) ALDH1A1MAPTPKMKDM4EGLA
SCHEMBL2798266 0.82 ALDH1A1 (0.50) ALDH1A1MAPTPKMKDM4EGLA
SCHEMBL5149436 0.76 KDM4E (0.60) KDM4EGLA
SCHEMBL11968823 0.76 ALDH1A1 (0.45) ALDH1A1MAPTPKMKDM4EGLA
SCHEMBL12155648 0.75 ALDH1A1 (0.60) ALDH1A1MAPTPKMKDM4ESMN1; SMN2
SCHEMBL2797429 0.75 ALDH1A1 (0.49) ALDH1A1MAPTPKMGLASMN1; SMN2
SCHEMBL15709048 0.75 KDM4E (1.00) ALDH1A1KDM4EGLAHPGDMEN1
SCHEMBL11192095 0.73 KDM4E (0.67) ALDH1A1KDM4EGLAHPGDAPEX1

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 ALDH1A1 3142/4885MAPT 3361/4885PKM 3703/4885

“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.