SCHEMBL699420

SCHEMBL699420

CC(C)(C)c1cc(I)cc([N+](=O)[O-])c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HTT P42858 2/20 0.56
GALR3 O60755 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GPR35 Q9HC97 6/20 0.51
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TTR P02766 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL11105133 0.81 GPR35 (0.61) MEN1KMT2AHTTGPR35LMNA
Dinoterb SCHEMBL29487271 0.81 KMT2A (0.79) MEN1KMT2AHTTGALR3SMN1; SMN2
Dinoterb SCHEMBL53794 0.81 KMT2A (0.79) MEN1KMT2AHTTGALR3SMN1; SMN2
Dinoterb SCHEMBL8535102 0.81 KMT2A (0.79) MEN1KMT2AHTTGALR3SMN1; SMN2
SCHEMBL17500084 0.81 GPR35 (0.69) MEN1KMT2AHTTGALR3SMN1; SMN2
SCHEMBL397532 0.81 GPR35 (0.62) MEN1KMT2AHTTGALR3SMN1; SMN2
SCHEMBL1530400 0.80 MEN1 (0.55) MEN1KMT2AHTTGPR35LMNA
Dinoterb SCHEMBL424259 0.79 KMT2A (0.77) MEN1KMT2AHTTGALR3SMN1; SMN2
SCHEMBL1730710 0.79 MEN1 (0.56) MEN1KMT2AHTTGALR3SMN1; SMN2
SCHEMBL17378781 0.79 MEN1 (0.51) MEN1KMT2AHTTGALR3SMN1; SMN2

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 MEN1 3996/4885KMT2A 4259/4885HTT 1918/4885

“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.