SCHEMBL12415261

SCHEMBL12415261

Cc1nc2c(C)c(C)nn2c(C)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PKM P14618 1/20 0.37
PTGS2 P35354 1/20 0.36
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
HCRTR1 O43613 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
PDE10A Q9Y233 2/20 0.33
GLA P06280 1/20 0.33
APAF1 O14727 1/20 0.32
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL19036911 0.76 KDM4E (0.45) ALDH1A1KDM4ESMN1; SMN2PKMPTGS2
SCHEMBL7793045 0.73 PKM (0.42) ALDH1A1KDM4ESMN1; SMN2PKMPTGS2
SCHEMBL26006992 0.71 ALDH1A1 (0.31) ALDH1A1KDM4ESMN1; SMN2MAPTHSD17B10
SCHEMBL13134044 0.70 PDE10A (0.33) PDE10A
SCHEMBL15550878 0.69
SCHEMBL14341760 0.68 KDM4E (0.42) ALDH1A1KDM4ESMN1; SMN2MAPTHPGD
SCHEMBL15062063 0.68 KDM4E (0.39) ALDH1A1KDM4ESMN1; SMN2PKMPTGS2
SCHEMBL19036912 0.67 KDM4E (0.41) ALDH1A1KDM4ESMN1; SMN2MAPTHPGD
SCHEMBL15339542 0.67 KDM4E (0.51) ALDH1A1KDM4ESMN1; SMN2PKMPTGS2
SCHEMBL18223396 0.67 PDE10A (0.38) ALDH1A1KDM4ESMN1; SMN2HPGDPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853125-B2 Pyrazole compounds for controlling invertebrate pests BASF SE (DE) 2014-10-07 US disclosed
US-20110173726-A1 Pyrazole Compounds for Controlling Invertebrate Pests BASF SE (DE) 2011-07-14 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-20110173726-A1 Pyrazole Compounds for Controlling Invertebrate Pests PRXL2A, GRIN2C, GRIN2A ALDH1A1 1791/4885KDM4E 3903/4885SMN1; SMN2 3168/4885

“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.