SCHEMBL12832008

SCHEMBL12832008

CCCc1cnc2cc(C)ccn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 2/20 0.48
GLA P06280 1/20 0.48
DNMT1 P26358 1/20 0.47
PKM P14618 2/20 0.47
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA3 P34903 2/20 0.42
GRM2 Q14416 2/20 0.39
MAPT P10636 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA2 P47869 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
FLT3 P36888 3/20 0.36

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
SCHEMBL12832003 0.86 KDM4E (0.50) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL9234953 0.85 DNMT1 (0.46) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL1426785 0.82 GRM2 (0.36) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL14255060 0.81 KDM4E (0.48) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL859189 0.81 KDM4E (0.48) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL9117321 0.81 KDM4E (0.48) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL8240777 0.80 TLR7 (0.49) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL12758859 0.80 GRM2 (0.37) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL14255059 0.79 POLB (0.51) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL14290281 0.76 KDM4E (0.47) KDM4EALDH1A1GAAHPGDGLA

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-20110071129-A1 SPIRODIAMINE-DIARYL KETOXIME DERIVATIVE MSD K.K. (JP) 2011-03-24 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-20110071129-A1 SPIRODIAMINE-DIARYL KETOXIME DERIVATIVE MCHR2, MCHR1, ADRB2 KDM4E 2805/4885ALDH1A1 409/4885GAA 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.