SCHEMBL6799679

SCHEMBL6799679

Cc1cnc(-n2c(C)ccc2C)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 6/20 0.38
MAPT P10636 3/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
OGA O60502 1/20 0.34
KDR P35968 1/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 2/20 0.32
CCR9 P51686 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL1871602 0.81 KDM4E (0.48) KDM4EALDH1A1MAPTTSHRL3MBTL1
SCHEMBL22175730 0.75 KDM4E (0.35) KDM4EALDH1A1MAPTTSHRL3MBTL1
SCHEMBL17824670 0.75 OGA (0.39) KDM4EALDH1A1MAPTTSHRL3MBTL1
SCHEMBL13946247 0.70 NOS1 (0.41) NOS1ALDH1A1OGAKDRPOLB
SCHEMBL13285467 0.68 ALDH1A1 (0.55) NOS1KDM4EALDH1A1MAPTTSHR
SCHEMBL15061939 0.68 ALDH1A1 (0.50) NOS1KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL22175658 0.68 CDC7 (0.55) KDM4EALDH1A1MAPTOGAPOLB
SCHEMBL2305512 0.67 ALDH1A1 (0.58) NOS1KDM4EALDH1A1MAPTTSHR
SCHEMBL21477311 0.66 ALDH1A1 (0.62) NOS1KDM4EALDH1A1MAPTPOLB
SCHEMBL16636571 0.66 ALDH1A1 (0.62) KDM4EALDH1A1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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 (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-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 NOS1 1463/4885KDM4E 2600/4885ALDH1A1 2901/4885

“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.