SCHEMBL3217419

SCHEMBL3217419

CCCC/C(=C\C(=O)O)c1cc(OCc2ccc(OC)cc2)nn(Cc2ccc(OC)cc2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
FFAR1 O14842 1/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36
ACHE P22303 1/20 0.36
SMPD1 P17405 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.35
PPARG P37231 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
SCHEMBL3212790 0.83 CNR1 (0.44) FAAHMGLLCNR1CNR2HRH3
SCHEMBL3217432 0.81 PSEN1 (0.48) PPARG
SCHEMBL2772203 0.77 HDAC8 (0.43) FAAHMGLLCNR1CNR2HRH3
SCHEMBL2772199 0.77 HDAC8 (0.43) FAAHMGLLCNR1CNR2HRH3
SCHEMBL3217427 0.75 AKR1B10 (0.41) CNR1CNR2SMN1; SMN2MAPTLMNA
SCHEMBL3217412 0.75 AKR1B10 (0.41) CNR1CNR2SMN1; SMN2MAPTLMNA
SCHEMBL2767672 0.73 CNR1 (0.47) FAAHMGLLCNR1CNR2MAPT
SCHEMBL3212801 0.70 PSEN1 (0.48) CNR1CNR2PPARG
SCHEMBL19364216 0.66 NPBWR1 (0.42) FAAHMGLL
SCHEMBL2233914 0.66 ACACB (0.41) PPARG

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-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2010-02-25 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-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS NQO2, MT-ND1, SDHB FAAH 3205/4885MGLL 4501/4885CNR1 654/4885

“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.