SCHEMBL4876537

SCHEMBL4876537

COc1ccnc2c(Br)cc(C)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.41
CASP6 P55212 1/20 0.41
EGFR P00533 1/20 0.40
MAPT P10636 6/20 0.38
L3MBTL1 Q9Y468 5/20 0.38
ALDH1A1 P00352 1/20 0.38
PRNP P04156 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
GAA P10253 1/20 0.38
NQO2 P16083 1/20 0.37
LMNA P02545 2/20 0.37
SRC P12931 1/20 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
SCHEMBL17502531 0.80 NSD2 (0.41) NSD2CASP6MAPTL3MBTL1ALDH1A1
SCHEMBL29923648 0.80 NSD2 (0.41) NSD2CASP6MAPTL3MBTL1ALDH1A1
SCHEMBL27185251 0.77 EGFR (0.43) NSD2CASP6EGFRMAPTALDH1A1
SCHEMBL28304013 0.76 SLC40A1 (0.49) NSD2CASP6EGFRNQO2
SCHEMBL31392519 0.76 KDM4E (0.39) MAPTL3MBTL1ALDH1A1HPGDTDP1
SCHEMBL439148 0.76 NR4A2 (0.40) NSD2CASP6MAPTALDH1A1PRNP
SCHEMBL10257047 0.72 CCR1 (0.48) NSD2CASP6MAPTL3MBTL1ALDH1A1
SCHEMBL185654 0.72 CCR1 (0.50) NSD2CASP6NPC1PDGFRBPDGFRA
SCHEMBL19723173 0.72 HTR1A (0.53) PDGFRBPDGFRAGAASRCTGFBR1
SCHEMBL21591888 0.71 EGFR (0.50) EGFRPDGFRBPDGFRANQO2SRC

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-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 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-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PDE5A, PDE3B, PDE12 NSD2 4099/4885CASP6 2944/4885EGFR 4387/4885

“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.