SCHEMBL1999268

SCHEMBL1999268

Cc1cnc(Cl)nc1C(N)CCCOc1ccc2[nH]ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.41
HDAC1 Q13547 1/20 0.40
PPARD Q03181 1/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA10 Q9GZZ6 1/20 0.36
CHRNA9 Q9UGM1 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
PTPN11 Q06124 1/20 0.34
MAOA P21397 1/20 0.34
LRRK2 Q5S007 4/20 0.34
APP P05067 1/20 0.34
THRA P10827 2/20 0.33
THRB P10828 2/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
AHR P35869 1/20 0.33
NR4A2 P43354 1/20 0.33

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
SCHEMBL1999269 0.76 LTA4H (0.41) LTA4HHDAC1PPARDCHRNB4CHRNA3
SCHEMBL3793622 0.70 LTA4H (0.60) LTA4HHDAC1PPARDCHRNB4CHRNA3
SCHEMBL1544837 0.70 LTA4H (0.60) LTA4HHDAC1PPARDCHRNB4CHRNA3
SCHEMBL19884908 0.69 LTA4H (0.56) LTA4HHDAC1PPARDCHRNB4CHRNA3
SCHEMBL3794813 0.67 LTA4H (0.60) LTA4HHDAC1PPARDCHRNB4CHRNA3
SCHEMBL11788344 0.66 HDAC1 (0.61) LTA4HHDAC1CHRNB4CHRNA3CHRNA7
SCHEMBL17402429 0.66 HDAC1 (0.61) LTA4HHDAC1CHRNB4CHRNA3CHRNA7
SCHEMBL11505407 0.66 HDAC1 (0.61) LTA4HHDAC1CHRNB4CHRNA3CHRNA7
SCHEMBL2491222 0.66 LTA4H (0.58) LTA4HHDAC1PPARDCHRNB4CHRNA3
SCHEMBL1196073 0.66 LTA4H (0.58) LTA4HHDAC1PPARDCHRNB4CHRNA3

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-7964622-B2 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC (US) 2011-06-21 US disclosed
US-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents MA XIN 2009-12-03 US disclosed
US-7592361-B2 (5-{3-[4-(4,5,6,7-tetrahydro-benzooxazol-2-yl)-phenoxy]-propoxy}-indol-1-yl)-acetic acid; diabetes, obesity, hyperlipidemia, and atherosclerotic disease BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-22 US disclosed
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC 2006-11-23 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 (2 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-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT LTA4H 254/4885HDAC1 548/4885PPARD 452/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT LTA4H 254/4885HDAC1 548/4885PPARD 452/4885

“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.