SCHEMBL810986

SCHEMBL810986

Nc1cc(OCc2ccccc2Br)ccc1Sc1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.52
AKT2 P31751 1/20 0.52
PARP10 Q53GL7 1/20 0.46
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
SLC6A2 P23975 5/20 0.39
SLC6A4 P31645 5/20 0.39
SLC6A3 Q01959 4/20 0.39
MAOB P27338 1/20 0.39
IDO1 P14902 2/20 0.38
AR P10275 1/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
ANO1 Q5XXA6 3/20 0.36
ALDH1A1 P00352 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL810856 0.85 MAOB (0.44) PIM1AKT2SLC6A2SLC6A4SLC6A3
SCHEMBL2970843 0.84 KMT2A (0.50) PIM1AKT2PARP10FFAR1FFAR4
SCHEMBL810520 0.83 PARP10 (0.48) PIM1AKT2PARP10FFAR1SLC6A2
SCHEMBL811060 0.83 PARP10 (0.48) PIM1AKT2PARP10SLC6A2SLC6A4
SCHEMBL810336 0.82 FFAR1 (0.44) PIM1AKT2FFAR1SLC6A2SLC6A4
SCHEMBL811334 0.82 CYP1A2 (0.55) PARP10SLC6A2SLC6A3MAOBCYP2C19
SCHEMBL810140 0.80 MAOB (0.46) FFAR1FFAR4SLC6A2SLC6A4SLC6A3
SCHEMBL810088 0.80 MAOB (0.52) PARP10FFAR1FFAR4MAOBALDH1A1
SCHEMBL811071 0.78 PARP10 (0.46) PIM1AKT2PARP10CYP2D6CYP2C9
SCHEMBL811162 0.77 CACNA1C (0.51) PARP10SLC6A2SLC6A4SLC6A3MAOB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
CN-101443334-A Anti-viral compounds ABBOTT LAB (US) 2009-05-27 CN disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PIM1 2963/4885AKT2 3903/4885PARP10 2995/4885

“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.