SCHEMBL6174933

SCHEMBL6174933

NCCc1ccc(-n2cc(-c3ccccc3)nc2C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.43
MAOB P27338 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.38
HTR2A P28223 2/20 0.38
LOXL2 Q9Y4K0 2/20 0.38
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38
CYP2A6 P11509 1/20 0.38
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
LMNA P02545 1/20 0.36
PDE10A Q9Y233 2/20 0.35
P2RY14 Q15391 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
SCHEMBL6329632 0.87 TDP1 (0.38) SMN1; SMN2PTGS2PTGS1NPC1MAPT
SCHEMBL28156416 0.80 PTGS1 (0.53) SMN1; SMN2PTGS2PTGS1NPC1MAPT
SCHEMBL6176408 0.79 PTGS2 (0.42) SMN1; SMN2PTGS2PTGS1NPC1MAPT
SCHEMBL6177327 0.78 SPNS2 (0.43) TAAR1SMN1; SMN2HTR2ALOXL2PTGS2
SCHEMBL6177331 0.77 SMN1; SMN2 (0.39) TAAR1SMN1; SMN2HTR2ALOXL2PTGS2
SCHEMBL6334832 0.76 TAAR1 (0.45) TAAR1NPC1RAB9APDE10A
SCHEMBL6175591 0.74 MAPT (0.39) SMN1; SMN2PTGS2PTGS1NPC1MAPT
SCHEMBL4456197 0.71 MAPT (0.40) SMN1; SMN2PTGS2PTGS1NPC1MAPT
SCHEMBL28111728 0.70 PTGS1 (0.54) TAAR1SMN1; SMN2LOXL2PTGS2PTGS1
SCHEMBL6175631 0.68 PTGS1 (0.55) SMN1; SMN2PTGS2PTGS1NPC1MAPT

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 4 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
EP-1494667-A1 IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS Pfizer Japan Inc. (JP) 2005-01-12 EP disclosed
US-20030220372-A1 Imidazole compounds as anti-inflammatory and analgesic agents HIRANO MISATO (JP) 2003-11-27 US disclosed
WO-2003086390-A1 IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER JAPAN INC. (JP) 2003-10-23 WO 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 TAAR1 2861/4885MAOB 2559/4885SMN1; SMN2 4565/4885

“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.