SCHEMBL811448

SCHEMBL811448

Nc1nc(Cl)cc(Sc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 4/20 0.43
PIN1 Q13526 2/20 0.43
MGMT P16455 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 3/20 0.40
PDE7B Q9NP56 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
BACE1 P56817 1/20 0.38
AR P10275 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL810775 0.84 SMN1; SMN2 (0.49) SMN1; SMN2LMNAMEN1KMT2ARAB9A
SCHEMBL810198 0.80 PDE7A (0.55) PDE7ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL8837229 0.74 MEN1 (0.53) PIN1MEN1KMT2ANPC1RAB9A
SCHEMBL30040863 0.73 RAB9A (0.53) POLBSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL29463873 0.73 MEN1 (0.53) PIN1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL810368 0.73 RAB9A (0.53) POLBSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL810842 0.73 MEN1 (0.53) PIN1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL1663438 0.71 MEN1 (0.57) PIN1MEN1KMT2ANPC1RAB9A
SCHEMBL30832846 0.71 MEN1 (0.57) PIN1MEN1KMT2ANPC1RAB9A
SCHEMBL17498300 0.71 MAOB (0.49) PDE7ASMN1; SMN2LMNAMEN1KMT2A

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 10 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
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO 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 (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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PDE7A 4223/4885PIN1 761/4885MGMT 2509/4885
US-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PDE7A 4223/4885PIN1 761/4885MGMT 2509/4885

“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.