SCHEMBL5452386

SCHEMBL5452386

COc1ccc(Cn2c(Cl)nc3c(Cl)ncnc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PDE10A Q9Y233 1/20 0.48
PDE1B Q01064 6/20 0.47
MAPT P10636 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALOX15 P16050 1/20 0.45
DCTPP1 Q9H773 2/20 0.43
KMT2A Q03164 1/20 0.43
PI4KA P42356 1/20 0.42
PI4K2B Q8TCG2 1/20 0.42
PI4K2A Q9BTU6 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
PNP P00491 1/20 0.42
HPGD P15428 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
CNR2 P34972 1/20 0.40

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
SCHEMBL5451833 0.88 PDE10A (0.61) ALDH1A1LMNASMN1; SMN2PDE10APDE1B
SCHEMBL17283025 0.87 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2PDE10APDE1B
SCHEMBL5452368 0.87 ADORA2A (0.51) ALDH1A1LMNASMN1; SMN2PDE10APDE1B
SCHEMBL6078154 0.86 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2PDE10APDE1B
SCHEMBL21174200 0.81 TLR7 (0.57) ALDH1A1LMNASMN1; SMN2PDE10APDE1B
SCHEMBL5467849 0.80 PDE10A (0.44) ALDH1A1LMNASMN1; SMN2PDE10APDE1B
SCHEMBL5466010 0.79 ADORA2A (0.53) ALDH1A1PDE10APDE1BMAPTKDM4E
SCHEMBL5465357 0.77 HPGD (0.64) ALDH1A1LMNASMN1; SMN2KMT2AHPGD
SCHEMBL4928309 0.76 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL15720273 0.75 ADORA2A (0.46) KMT2API4KAPI4K2BPI4K2API4KB

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-20070203159-A1 Purine compounds UNIVERSITETET I OLSO (NO) 2007-08-30 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-20070203159-A1 Purine compounds PNP, UMPS, TYMP ALDH1A1 2044/4885LMNA 2001/4885SMN1; SMN2 3727/4885

“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.