SCHEMBL703552

SCHEMBL703552

COc1c([N+](=O)[O-])cc(I)cc1C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
TDP1 Q9NUW8 2/20 0.59
TSHR P16473 1/20 0.59
TPMT P51580 1/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
GALR3 O60755 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35
TUBA3C P0DPH7 2/20 0.35
TUBA1B P68363 2/20 0.35
TUBA4A P68366 2/20 0.35
TUBB4B P68371 2/20 0.35
TUBB3 Q13509 2/20 0.35
TUBB2A Q13885 2/20 0.35
TUBB8 Q3ZCM7 2/20 0.35
TUBA3E Q6PEY2 2/20 0.35

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
SCHEMBL14200099 0.82 ALDH1A1 (0.60) ALDH1A1TDP1TSHRTPMTMEN1
SCHEMBL13376134 0.82 ALDH1A1 (0.60) ALDH1A1TDP1TSHRTPMTMEN1
SCHEMBL26218849 0.82 ALDH1A1 (0.65) ALDH1A1TDP1TSHRTPMTMEN1
SCHEMBL1542233 0.81 ALDH1A1 (0.59) ALDH1A1TDP1TSHRTPMTMEN1
SCHEMBL1530235 0.80 TPMT (0.45) ALDH1A1TDP1TSHRTPMTMEN1
SCHEMBL2065796 0.78 PTGS2 (0.46) ALDH1A1TDP1TSHRSMN1; SMN2KDM4E
SCHEMBL5361776 0.78 ALDH1A1 (0.56) ALDH1A1TDP1TSHRTPMTMEN1
SCHEMBL1730836 0.77 ALDH1A1 (0.55) ALDH1A1TDP1TSHRTPMTMEN1
SCHEMBL17375020 0.77 ALDH1A1 (0.58) ALDH1A1TDP1TSHRTPMTMEN1
SCHEMBL699420 0.77 MEN1 (0.56) ALDH1A1TDP1TSHRMEN1KMT2A

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-8741914-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2014-06-03 US disclosed
EP-2421845-B1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LAB (US) 2013-04-17 EP disclosed
US-20120100104-A1 Antiviral Compounds And Uses Thereof ABBOTT LABORATORIES (US) 2012-04-26 US disclosed
EP-2421845-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Abbott Laboratories (US) 2012-02-29 EP disclosed
WO-2010111437-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-30 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 (1 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-20120100104-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 ALDH1A1 2957/4885TDP1 2255/4885TSHR 4664/4885

“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.