SCHEMBL1455112

SCHEMBL1455112

O=C(Nc1cncc(F)c1)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
MGLL Q99685 3/20 0.58
ROCK2 O75116 2/20 0.52
MAPT P10636 3/20 0.50
ENPP2 Q13822 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TP53 P04637 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
TSHR P16473 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
P2RX7 Q99572 1/20 0.50
NAMPT P43490 1/20 0.49
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47

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
SCHEMBL21501949 0.86 POLB (0.65) POLBMGLLROCK2MAPTENPP2
SCHEMBL7122137 0.84 MGLL (0.65) POLBMGLLROCK2MAPTENPP2
SCHEMBL1454511 0.84 POLB (0.62) POLBMGLLROCK2MAPTENPP2
SCHEMBL3586577 0.84 POLB (0.62) POLBMGLLROCK2MAPTENPP2
SCHEMBL1034658 0.82 MGLL (0.74) POLBMGLLMAPTENPP2ALDH1A1
SCHEMBL20605796 0.82 POLB (0.59) POLBMGLLROCK2MAPTENPP2
SCHEMBL29957457 0.82 POLB (0.59) POLBMGLLROCK2MAPTENPP2
SCHEMBL19993034 0.81 POLB (0.70) POLBMGLLROCK2MAPTENPP2
SCHEMBL27815058 0.80 MGLL (0.71) POLBMGLLROCK2MAPTALDH1A1
SCHEMBL14923524 0.80 POLB (0.56) POLBMGLLROCK2MAPTENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 US disclosed
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 POLB 442/4885MGLL 680/4885ROCK2 2717/4885

“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.