SCHEMBL2573157

SCHEMBL2573157

COc1ccc(-c2ccc(C=O)n2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
CYP2A6 P11509 1/20 0.46
MAPT P10636 4/20 0.45
LMNA P02545 3/20 0.44
BACE1 P56817 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 3/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39

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
SCHEMBL21357740 0.75 AR (0.42) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL14360705 0.74 MAPT (0.50) ALDH1A1MAPTLMNABACE1MEN1
SCHEMBL1544992 0.73 ALDH1A1 (0.47) ALDH1A1CYP2A6MAPTLMNABACE1
SCHEMBL29589106 0.73 MAPT (0.57) ALDH1A1MAPTLMNABACE1MEN1
SCHEMBL3761395 0.71 LMNA (0.66) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL17375980 0.70 HRH3 (0.49) ALDH1A1MAPTBACE1MEN1KMT2A
SCHEMBL6014116 0.70 TRIM24 (0.50) ALDH1A1CYP2A6LMNAMEN1KMT2A
SCHEMBL15962920 0.68 MAOB (0.45) ALDH1A1CYP2A6MAPTLMNAHPGD
SCHEMBL19214399 0.67 ALDH1A1 (0.86) ALDH1A1CYP2A6MAPTLMNACYP3A4
SCHEMBL6351 0.67 ALDH1A1 (0.86) ALDH1A1CYP2A6MAPTLMNACYP3A4

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-20160207908-A1 BROAD SPECTRUM ANTIVIRAL AND ANTIPARASITIC AGENTS NIH-DEITR 2016-07-21 US disclosed
US-9139575-B2 Broad spectrum antiviral and antiparasitic agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-09-22 US disclosed
US-20130028966-A1 Broad Spectrum Antiviral and Antiparasitic Agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-01-31 US disclosed
WO-2011130419-A2 BROAD SPECTRUM ANTIVIRAL AND ANTIPARASITIC AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-10-20 WO disclosed
WO-2009148004-A1 NOVEL COMPOUND AND PHARMACEUTICAL APPLICATION OF SAME 株式会社 三和化学研究所 (JP) 2009-12-10 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-20160207908-A1 BROAD SPECTRUM ANTIVIRAL AND ANTIPARASITIC AGENTS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 1660/4885CYP2A6 779/4885MAPT 2628/4885
US-20130028966-A1 Broad Spectrum Antiviral and Antiparasitic Agents MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 1660/4885CYP2A6 779/4885MAPT 2628/4885

“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.