SCHEMBL1684151

SCHEMBL1684151

O=C(NOC(F)(F)c1ccc(F)c(F)c1F)c1nccc2ncn(Cc3ccc(F)cc3)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.36
HSD17B13 Q7Z5P4 3/20 0.35
RAB9A P51151 1/20 0.33
NR3C1 P04150 1/20 0.33
PPARG P37231 2/20 0.33
MAPK14 Q16539 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90B1 P14625 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
IDO1 P14902 1/20 0.32
EPHX2 P34913 1/20 0.32
QPCT Q16769 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL5832076 0.80 MMP13 (0.45) MMP13HSD17B13RAB9AMAPK14HSP90AA1
SCHEMBL2945254 0.80 MMP13 (0.41) MMP13NR3C1PPARGIDO1EPHX2
SCHEMBL4903920 0.77 HSP90AA1 (0.47) MMP13HSD17B13MAPK14HSP90AA1HSP90B1
SCHEMBL4909246 0.76 EGLN1 (0.44) MMP13HSD17B13RAB9AEGLN1IDO1
SCHEMBL4913329 0.73 TP53 (0.49)
SCHEMBL4914229 0.66 HDAC6 (0.48) PPARGHDAC3HDAC4HDAC1HDAC7
SCHEMBL4904745 0.64 EGLN1 (0.53) MMP13MAPK14HSP90AA1HSP90B1EGLN1
SCHEMBL3110505 0.60 GLS (0.36)
SCHEMBL20591088 0.59 CYP11B2 (0.48) HSP90AA1HSP90B1
SCHEMBL5790376 0.58 NPC1 (0.30)

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
WO-2011041512-A2 COMPOSITIONS AND METHODS FOR TREATING MLV-INFECTION, AND PREVENTING AND TREATING MLV-INITIATED DISEASES EMORY UNIVERSITY (US) 2011-04-07 WO disclosed
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 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-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB MMP13 1047/4885HSD17B13 459/4885RAB9A 4373/4885

“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.