SCHEMBL2017431

SCHEMBL2017431

COCCNC(=O)c1ccc(Oc2ccc(Cl)cc2N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.52
CYP1A2 P05177 3/20 0.52
MAPT P10636 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
CYP2D6 P10635 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPC1 O15118 1/20 0.51
LOX P28300 2/20 0.51
LOXL2 Q9Y4K0 2/20 0.51
GAA P10253 1/20 0.48
CYP3A4 P08684 1/20 0.48
TP53 P04637 1/20 0.47
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45

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
SCHEMBL2965308 0.89 MAPT (0.55) HPGDCYP1A2MAPTCYP2C9CYP2C19
SCHEMBL2963639 0.82 MAPT (0.60) HPGDCYP1A2MAPTCYP2C9CYP2C19
SCHEMBL2021889 0.82 MAPT (0.56) HPGDMAPTALDH1A1MEN1KMT2A
SCHEMBL2964396 0.78 MAPT (0.66) HPGDCYP1A2MAPTCYP2C9CYP2C19
SCHEMBL2964888 0.77 L3MBTL1 (0.53) CYP1A2MAPTCYP2C9CYP2C19ALDH1A1
SCHEMBL14454255 0.75 NPC1 (0.46) CYP1A2MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL2961914 0.74 ALDH1A1 (0.56) HPGDCYP1A2MAPTCYP2C9CYP2C19
SCHEMBL2968570 0.74 MAPT (0.58) HPGDCYP1A2MAPTCYP2C9CYP2C19
SCHEMBL879197 0.74 HPGD (0.76) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL2969396 0.74 L3MBTL1 (0.55) HPGDCYP1A2MAPTCYP2C9CYP2C19

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 12 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
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 HPGD 3704/4885CYP1A2 877/4885MAPT 1347/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 HPGD 3704/4885CYP1A2 877/4885MAPT 1347/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 HPGD 3704/4885CYP1A2 877/4885MAPT 1347/4885

“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.