SCHEMBL6329632

SCHEMBL6329632

OCCc1ccc(-n2cc(-c3ccccc3)nc2C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
NPC1 O15118 3/20 0.37
MAPT P10636 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
PDE10A Q9Y233 2/20 0.37
SRC P12931 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS2 P35354 2/20 0.35
PTGS1 P23219 2/20 0.35
ACSS2 Q9NR19 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL6174933 0.87 TAAR1 (0.43) NPC1MAPTRAB9ASMN1; SMN2NFKB1
SCHEMBL6175591 0.87 MAPT (0.39) TDP1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL28156416 0.82 PTGS1 (0.53) TDP1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL6175631 0.81 PTGS1 (0.55) TDP1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL6178920 0.80 GPR119 (0.41) TDP1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL6176408 0.79 PTGS2 (0.42) NPC1MAPTRAB9ASMN1; SMN2PDE10A
SCHEMBL6334832 0.79 TAAR1 (0.45) NPC1RAB9APDE10AALDH1A1GAA
SCHEMBL6179004 0.78 AGER (0.42) TDP1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL6173956 0.77 CXCR3 (0.40) TDP1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL6173846 0.75 AGER (0.54) MAPTSMN1; SMN2

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-6956050-B2 Imidazole compounds as anti-inflammatory and analgesic agents PFIZER, INC. (US) 2005-10-18 US disclosed
US-20030220372-A1 Imidazole compounds as anti-inflammatory and analgesic agents HIRANO MISATO (JP) 2003-11-27 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-20030220372-A1 Imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, PTGES TDP1 4442/4885NPC1 959/4885MAPT 2109/4885

“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.