SCHEMBL2493312

SCHEMBL2493312

CN(C)c1cccc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.65
AKR1C4 P17516 1/20 0.65
AKR1C3 P42330 1/20 0.65
AKR1C2 P52895 1/20 0.65
AKR1C1 Q04828 1/20 0.65
MAPK1 P28482 5/20 0.62
EPAS1 Q99814 2/20 0.55
ALDH3A1 P30838 1/20 0.53
MAPT P10636 6/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
KIF11 P52732 1/20 0.47
FBP1 P09467 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KCNMA1 Q12791 1/20 0.46
ARNT P27540 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 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
SCHEMBL8559386 0.87 AKR1B1 (0.77) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL2646781 0.83 AKR1B1 (0.70) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL13811262 0.82 MAPK1 (0.75) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL2641949 0.81 AKR1B1 (0.69) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1668253 0.81 AKR1B1 (0.69) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL8559459 0.81 AKR1B1 (0.69) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11468688 0.81 AKR1B1 (0.72) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL8559703 0.80 AKR1B1 (0.70) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11392520 0.79 MAPK1 (0.84) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL16577821 0.79 HCAR3 (0.70) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012079032-A2 COMPOSITIONS AND METHODS OF TREATING DRUG-RESISTANT RETROVIRAL INFECTIONS TRANA DISCOVERY, INC. (US) 2012-06-14 WO claimed
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2019-01-24 US disclosed
US-10098887-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2018-10-16 US disclosed
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2016-05-12 US disclosed
US-9173886-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2015-11-03 US disclosed
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TRANA DISCOVERY, INC (US) 2013-03-21 US disclosed
WO-2012079032-A2 COMPOSITIONS AND METHODS OF TREATING DRUG-RESISTANT RETROVIRAL INFECTIONS TRANA DISCOVERY, INC. (US) 2012-06-14 WO disclosed
WO-2011113060-A2 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY, INC. (US) 2011-09-15 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 (4 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-10098887-B2 Antiviral compounds and methods of use thereof TYMP, MAVS, ZC3HAV1 AKR1B1 4341/4885AKR1C4 4497/4885AKR1C3 4439/4885
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 AKR1B1 4341/4885AKR1C4 4497/4885AKR1C3 4439/4885
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TYMP, MAVS, ZC3HAV1 AKR1B1 4341/4885AKR1C4 4497/4885AKR1C3 4439/4885
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 AKR1B1 4341/4885AKR1C4 4497/4885AKR1C3 4439/4885

“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.