SCHEMBL350321

SCHEMBL350321

CCN([C]=O)c1c[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MITF O75030 1/20 0.47
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HTR2A P28223 3/20 0.46
HTR1A P08908 2/20 0.45
HTR6 P50406 1/20 0.45
HTT P42858 1/20 0.44
GPR84 Q9NQS5 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL4982358 0.78 MEN1 (0.54) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL14921847 0.76 OPRM1 (0.55) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL7979555 0.75 MEN1 (0.51) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL6394938 0.73 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL27474102 0.73 LMNA (0.58) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL26978217 0.72 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL28032144 0.72 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL2338566 0.71 SIGMAR1 (0.47) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL14399666 0.71 HTR2A (0.53) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL4212837 0.71 ATM (0.54) ALDH1A1MEN1KMT2AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015868-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-19 US disclosed
US-7223755-B2 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2007-05-29 US disclosed
US-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2005-08-11 US 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-20120015868-A1 Metastin derivatives and use thereof MET, HGFAC, HGF ALDH1A1 2662/4885MEN1 7/4885KMT2A 2993/4885
US-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof CAPN1, OPRM1, CAPN2 ALDH1A1 1825/4885MEN1 4787/4885KMT2A 3923/4885

“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.