SCHEMBL2968570

SCHEMBL2968570

CCN(CC)C(=O)c1ccc(Oc2ccc(Cl)cc2N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
ALDH1A1 P00352 4/20 0.58
CYP1A2 P05177 3/20 0.56
HPGD P15428 3/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP3A4 P08684 1/20 0.51
LPAR1 Q92633 4/20 0.49
LPAR5 Q9H1C0 4/20 0.49
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HSP90AA1 P07900 2/20 0.45
HSP90AB1 P08238 2/20 0.45
NPC1 O15118 2/20 0.44

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
SCHEMBL2955796 0.89 MAPT (0.56) MAPTALDH1A1CYP1A2HPGDCYP2C9
SCHEMBL2961914 0.82 ALDH1A1 (0.56) MAPTALDH1A1CYP1A2HPGDCYP2C9
SCHEMBL2964396 0.81 MAPT (0.66) MAPTALDH1A1CYP1A2HPGDCYP2C9
SCHEMBL2960330 0.81 ALDH1A1 (0.69) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL2965308 0.78 MAPT (0.55) MAPTALDH1A1CYP1A2HPGDCYP2C9
SCHEMBL2963639 0.77 MAPT (0.60) MAPTALDH1A1CYP1A2HPGDCYP2C9
SCHEMBL32674568 0.75 MAPT (0.96) MAPTALDH1A1CYP1A2HPGDCYP2C9
SCHEMBL11809876 0.75 OPRM1 (0.65) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL7140487 0.75 MAPT (0.96) MAPTALDH1A1CYP1A2HPGDCYP2C9
SCHEMBL2017431 0.74 HPGD (0.52) MAPTALDH1A1CYP1A2HPGDCYP2C9

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
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 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
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US 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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885ALDH1A1 2723/4885CYP1A2 877/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885ALDH1A1 2723/4885CYP1A2 877/4885

“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.