SCHEMBL6281463

SCHEMBL6281463

COc1ccc(Oc2ccc3[nH]ncc3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
TNIK Q9UKE5 1/20 0.52
KDR P35968 1/20 0.51
KDM4E B2RXH2 3/20 0.49
MAPT P10636 3/20 0.49
ROCK2 O75116 3/20 0.48
ROCK1 Q13464 3/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
PRKG1 Q13976 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
MAOB P27338 2/20 0.48
ALDH1A1 P00352 3/20 0.48
F2 P00734 1/20 0.48
NOS1 P29475 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
METAP2 P50579 1/20 0.47
CSNK2A1 P68400 1/20 0.47

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
SCHEMBL1141784 0.90 RAB9A (0.57) RAB9ANPC1TNIKKDRKDM4E
SCHEMBL19533525 0.85 DYRK3 (0.57) RAB9ANPC1KDRKDM4EMAPT
SCHEMBL12633808 0.83 MEN1 (0.57) RAB9ANPC1KDM4EMAPTROCK2
SCHEMBL27966519 0.80 ROCK2 (0.54) RAB9ANPC1TNIKKDRKDM4E
SCHEMBL12633807 0.80 NOS1 (0.44) RAB9ANPC1KDM4EMAPTROCK2
SCHEMBL28707122 0.79 NOS1 (0.46) RAB9ANPC1KDM4EMAPTROCK2
SCHEMBL14738564 0.76 NOS1 (0.60) RAB9AKDRKDM4EMAPTROCK2
SCHEMBL252796 0.75 KDM4E (0.60) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL31052754 0.75 KDM4E (0.60) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL16023025 0.75 RAB9A (0.50) RAB9ANPC1KDM4EMAPTROCK2

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-6919332-B2 N-substituted-heteroaryloxy-aryloxy-pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER INC. (US) 2005-07-19 US disclosed
US-20030232849-A1 N-substituted-heteroaryloxy-aryloxy-pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER INC. 2003-12-18 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-20030232849-A1 N-substituted-heteroaryloxy-aryloxy-pyrimidine-2,4,6-trione metalloproteinase inhibitors MMP8, MMP9, MMP1 RAB9A 3970/4885NPC1 2955/4885TNIK 1759/4885

“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.