SCHEMBL2018194

SCHEMBL2018194

Cc1ccc(Sc2ccc(C(=O)O)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
LMNA P02545 2/20 0.67
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
MAPT P10636 6/20 0.61
POLB P06746 2/20 0.57
HTT P42858 2/20 0.56
GSTP1 P09211 1/20 0.56
GSTM2 P28161 1/20 0.56
ALOX12 P18054 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
PDE7A Q13946 1/20 0.55
GAA P10253 1/20 0.55
BCL2L1 Q07817 1/20 0.54
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 2/20 0.50

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
SCHEMBL18779432 0.92 ALDH1A1 (0.74) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL2018440 0.88 ALDH1A1 (0.65) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL19048781 0.87 MAPT (0.62) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL2959825 0.87 MAPT (0.71) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL2962044 0.85 GSTP1 (0.61) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL810183 0.84 MAPT (0.64) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL19041455 0.84 GSTP1 (0.59) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL810289 0.84 PDE7A (0.68) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL18779398 0.83 MEN1 (0.74) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL16327556 0.83 MAPT (0.78) ALDH1A1LMNAMEN1KMT2AMAPT

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 13 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
CN-102702194-A Anti-viral compounds ABBOTT LAB 2012-10-03 CN disclosed
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 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
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
CN-101384592-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885LMNA 3252/4885MEN1 4571/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885LMNA 3252/4885MEN1 4571/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885LMNA 3252/4885MEN1 4571/4885

“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.