SCHEMBL810599

SCHEMBL810599

Cc1cc([N+](=O)[O-])c(Cl)cc1O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
CYP3A4 P08684 1/20 0.58
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
GPR35 Q9HC97 4/20 0.47
VCAM1 P19320 4/20 0.44
CYP1A2 P05177 1/20 0.43
CXCR2 P25025 1/20 0.42
P2RX1 P51575 1/20 0.41
PPIA P62937 1/20 0.41
PGK1 P00558 1/20 0.41

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
SCHEMBL2837571 0.92 ALDH1A1 (0.62) ALDH1A1CYP3A4TSHRMAPK1GPR35
SCHEMBL31220465 0.85 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRMAPK1GPR35
SCHEMBL304867 0.85 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRMAPK1GPR35
SCHEMBL4368022 0.84 GPR35 (0.54) ALDH1A1CYP3A4TSHRMAPK1GPR35
SCHEMBL68172 0.84 ALDH1A1 (0.71) ALDH1A1CYP3A4TSHRMAPK1GPR35
SCHEMBL3633645 0.84 TSHR (0.52) ALDH1A1CYP3A4TSHRMAPK1GPR35
SCHEMBL31592017 0.84 TSHR (0.52) ALDH1A1CYP3A4TSHRMAPK1GPR35
SCHEMBL8767757 0.82 ALDH1A1 (0.63) ALDH1A1CYP3A4TSHRMAPK1GPR35
SCHEMBL864500 0.82 TSHR (0.50) ALDH1A1CYP3A4TSHRMAPK1VCAM1
SCHEMBL799388 0.82 GPR35 (0.52) ALDH1A1CYP3A4TSHRMAPK1GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
CN-102702194-A Anti-viral compounds ABBOTT LAB 2012-10-03 CN 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
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
CN-101443334-A Anti-viral compounds ABBOTT LAB (US) 2009-05-27 CN disclosed
CN-101384592-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US 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
WO-2007076035-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 (3 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 ALDH1A1 2723/4885CYP3A4 273/4885TSHR 4805/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885CYP3A4 273/4885TSHR 4805/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885CYP3A4 273/4885TSHR 4805/4885

“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.